CiteULike: paulschlesinger's simulation [156 articles]

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membrane	525
protein	283
apoptosis	210
simulation	156
peptide	122
lipid	112
structure	112
cholesterol	108
binding	101
mitochondria	86
channel	85
cell	78
review	69
diffusion	66
bax	65
interaction	64
bcl-2	62
membranes	61
dynamics	55
fcs	52
pore	51
fusion	50
surface	50
folding	47
bilayer	43
proteins	42
proton	42
activation	41
death	39
analysis	37
cells	37
curvature	37
molecular	37
transport	37
mitochondrial	36
hydrophobic	35
kinetics	34
model	34
regulation	34
energy	33
formation	32
lateral	32
micelle	32
phase	32
receptor	30
peptides	29
channels	28
cytochrome	28
thermodynamics	28
c	27
cardiolipin	27
water	27
domain	26
tumor	26
mechanism	25
bclxl	24
cancer	23
family	23
interactions	23
ion	23
transfer	23
acid	22
activity	22
effect	22
liposome	22
helix	21
toxin	21
bid	20
bim	20
permeability	20
tension	20
antimicrobial	19
bh3	19
vesicles	19
amyloid	18
bak	17
force	17
metabolism	17
p53	17
ph	17
solution	17
calcium	16
fluorescence	16
function	16
melittin	16
oxysterol	16
sterol	16
transition	16
biology	15
insertion	15
modeling	15
aggregation	14
fret	14
interfacial	14
k	14
monolayer	14
nmr	14
rafts	14
single	14
size	14
vesicle	14
bcl-xl	13
coarse	13
fluctuations	13
fluorescent	13
free	13
puma	13
vdac	13
complex	12
detergent	12
mcl-1	12
molecule	12
phospholipid	12
properties	12
transmembrane	12
volume	12
yeast	12
amino	11
atp	11
ceramide	11
conformational	11
enzyme	11
er	11
g	11
influenza	11
inhibitor	11
lysosome	11
orientation	11
pump	11
scattering	11
shape	11
small	11
stability	11
structural	11
two	11
acids	10
area	10
bilayers	10
cation	10
chain	10
chloride	10
domains	10
expression	10
fatty	10
inhibition	10
lipids	10
liposomes	10
micelles	10
microscopy	10
oligomerization	10
pi	10
theory	10
time	10
virus	10
voltage	10
angle	9
apolipoprotein	9
bacteria	9
caspase	9
conformation	9
crowding	9
cyclodextrin	9
dimerization	9
disease	9
flow	9
landscape	9
ligand	9
line	9
mutation	9
physics	9
pressure	9
resistance	9
stabilization	9
stress	9
strucutre	9
supported	9
systems	9
transporter	9
x-ray	9
actin	8
bad	8
brownian	8
correlation	8
effects	8
fluctuation	8
heterogeneity	8
in	8
interface	8
intracellular	8
kinase	8
movement	8
nanoparticles	8
osteoclast	8
pathway	8
receptors	8
red	8
resonance	8
rhodanese	8
scale	8
signalling	8
spr	8
surfactant	8
targeting	8
tryptophan	8
active	7
assembly	7
association	7
atpase	7
behavior	7
carlo	7
cleavage	7
crystal	7
endothelial	7
entropy	7
evolution	7
field	7
gating	7
hydration	7
imaging	7
intramembrane	7
md	7
monte	7
motion	7
nanoparticle	7
neutron	7
oxidase	7
packing	7
particles	7
phospholipase	7
phospholipids	7
plasmon	7
pores	7
potassium	7
prion	7
selectivity	7
self	7
spectroscopy	7
thermal	7
unstructured	7
viral	7
adp	6
alzheimer	6
amphipile	6
and	6
anion	6
apoptotic	6
beta	6
biacore	6
bond	6
calculation	6
charge	6
chemistry	6
comparison	6
complexes	6
composition	6
concentration	6
critical	6
cytoskeleton	6
der	6
distribution	6
docking	6
droplets	6
fission	6
gene	6
giant	6
grain	6
grained	6
growth	6
helices	6
history	6
hiv	6
index	6
inhibitors	6
integration	6
intrinsically	6
lee08pdf	6
localization	6
mechanics	6
mode	6
na	6
nix	6
normal	6
order	6
particle	6
permeabilization	6
phosphorylation	6
polymer	6
potential	6
ptp	6
refractive	6
scanning	6
solvent	6
sphingomyelin	6
state	6
stochastic	6
surfaces	6
temperature	6
ternary	6
therapy	6
transitions	6
van	6
afm	5
bending	5
block	5
carrier	5
casimir	5
caspase-8	5
cl	5
cooperativity	5
cubic	5
degradation	5
dimer	5
disruption	5
distance	5
drug	5
dsc	5
egfr	5
elastic	5
elasticity	5
electrostatic	5
endocytosis	5
exchange	5
fas	5
flip	5
flop	5
fluid	5
fluids	5
frap	5
glycine	5
guv	5
hydrogen	5
induced	5
inhibit	5
inhomogeneous	5
ising	5
langmuir	5
lipoprotein	5
liquid	5
long	5
m2	5
malaria	5
mesotropic	5
mice	5
mobility	5
models	5
multiple	5
nuclear	5
oligomers	5
osmotic	5
pc	5
perturbation	5
pfob	5
proline	5
proteases	5
proteolysis	5
quantum	5
quenching	5
recognition	5
rhomboid	5
salts	5
sds	5
sensitivity	5
separation	5
sequence	5
states	5
statistical	5
suppression	5
survival	5
synthesis	5
thermodynamic	5
translocation	5
waals	5
xray	5
zhang08pdf	5
action	4
adsorption	4
alanine	4
alpha	4
anti	4
approach	4
based	4
bile	4
biophysics	4
biosynthesis	4
bone	4
calorimetry	4
cardiac	4
cationic	4
changes	4
charged	4
chemical	4
clc	4
clc-0	4
commentary	4
constant	4
control	4
crac	4
cross	4
c-terminal	4
deformation	4
delivery	4
dependent	4
detergents	4
diabetes	4
disordered	4
dppc	4
dynamic	4
e	4
efflux	4
electron	4
electrostatics	4
em	4
energetics	4
factor	4
fibril	4
forces	4
gases	4
gated	4
globule	4
gramicidin	4
h	4
homology	4
hydrodynamic	4
hydrophobicity	4
identification	4
inclusions	4
incorporation	4
increment	4
induction	4
interfaces	4
ischemia	4
kim08pdf	4
kim09pdf	4
kinetic	4
lamellar	4
langevin	4
large	4
lattice	4
lifetime	4
like	4
lipase	4
lysis	4
macrophage	4
manuscript	4
measurement	4
mechanical	4
membrne	4
mg	4
molten	4
motif	4
of	4
omm	4
optical	4
organization	4
outer	4
oxygen	4
parasite	4
penetration	4
phagosome	4
phases	4
pick	4
protease	4
raft	4
rapid	4
reconstitution	4
region	4
release	4
residues	4
ripening	4
role	4
salt	4
saxs	4
signal	4
signaling	4
sites	4
space	4
spectra	4
sterols	4
surfactants	4
synthase	4
system	4
target	4
tat	4
tnf	4
toxicity	4
trans	4
vacuolar	4
vascular	4
wang09pdf	4
wu08pdf	4
xiap	4
zhang09pdf	4
a2	3
acyl	3
agonists	3
alamethicin	3
amiloid	3
amphipathic	3
amphiphile	3
amphiphiles	3
amphipiles	3
anesthetic	3
anions	3
arginine	3
asymmetric	3
atomic	3
attachment	3
backbone	3
bacterial	3
barriers	3
base	3
basis	3
bicelles	3
biochemistry	3
bk	3
bleb	3
blocker	3
blood	3
brain	3
budding	3
ca	3
cardiomyocyte	3
catalysis	3
cecropin	3
cellular	3
chains	3
change	3
chen08pdf	3
chloroquine	3
clearance	3
cluster	3
coefficients	3
colicin	3
compound	3
conductance	3
conserved	3
contact	3
correction	3
cryo	3
cytosol	3
defects	3
deficiency	3
deficient	3
delay	3
density	3
design	3
detection	3
determination	3
development	3
differentiation	3
diphtheria	3
displacement	3
drugs	3
dysfunction	3
electrical	3
ensemble	3
environment	3
escrt	3
exchanger	3
experimental	3
extracellular	3
file	3
fold	3
forming	3
functional	3
gel	3
geometry	3
glycerol	3
golgi	3
gonzal08pdf	3
g-protein	3
groups	3
guvs	3
headgroup	3
hemolysis	3
hexagonal	3
hinge	3
hiv-1	3
hofmeister	3
huang08pdf	3
infection	3
inhomogeneity	3
insulin	3
integrin	3
intrinsic	3
inverted	3
ionization	3
ions	3
islet	3
ksca	3
lammellar	3
lee09pdf	3
li08pdf	3
liu09pdf	3
local	3
macromolecules	3
mammalian	3
marsh09pdf	3
mass	3
match	3
matrix	3
melting	3
membrnae	3
methods	3
microdomains	3
minimum	3
mismatch	3
mitochondira	3
mixed	3
mixtures	3
modulation	3
modulus	3
multicomponent	3
multiscale	3
nanopore	3
nanotube	3
natural	3
negative	3
news	3
npc1	3
ostwald	3
oxidation	3
oxidative	3
oxidized	3
oxysterols	3
pathways	3
perfluorocarbon	3
peripherial	3
pfc	3
phagocytosis	3
photoconversion	3
photon	3
pk	3
plasma	3
point	3
polarization	3
prediction	3
range	3
rbc	3
reaction	3
reconstruction	3
redox	3
regions	3
regualtion	3
remodeling	3
repair	3
response	3
rhodopsin	3
secretion	3
series	3
shear	3
side	3
site	3
smac	3
snare	3
snares	3
solubility	3
solubilization	3
src	3
stern	3
steroid	3
studies	3
study	3
substrate	3
subunit	3
sun08pdf	3
swapping	3
swelling	3
synthetic	3
thickness	3
tilt	3
transcription	3
translocator	3
trehalose	3
tyrosine	3
unfolding	3
unsaturation	3
uptake	3
vesicular	3
views	3
viscosity	3
vivo	3
volmer	3
wang08pdf	3
1	2
2	2
8	2
abc	2
absent	2
absorption	2
abt-737	2
accumulation	2
acidic	2
acoustic	2
activate	2
activator	2
addition	2
aggregates	2
albumin	2
alcohols	2
alexan09pdf	2
allosteric	2
ammonia	2
amylod	2
anchored	2
anchoring	2
anesthetics	2
angiogenesis	2
angles	2
anisotropy	2
anomolous	2
antagonists	2
antiapoptotic	2
anti-apoptotic	2
antibacterial	2
antigen	2
apotosis	2
application	2
assay	2
atom	2
autophagy	2
avb3	2
beam	2
beclin	2
bfl-1	2
bh4	2
bilyer	2
bind	2
biological	2
blebs	2
boltzmann	2
bond08pdf	2
bound	2
calmodulin	2
capacitance	2
cardiomyocytes	2
caspase-3	2
caspases	2
cations	2
caveolin	2
cavitation	2
cavity	2
cftr	2
characteristics	2
characterization	2
cheleythrine	2
chemotherapy	2
choe09pdf	2
cholera	2
clc-4	2
clic	2
clic1	2
cmc	2
coefficient	2
coil	2
coli	2
collapse	2
colloid	2
colloidal	2
computational	2
consumption	2
continuum	2
cooperative	2
coordinate	2
core	2
course	2
covalent	2
cramide	2
cross-correlation	2
crystallization	2
current	2
cyclophilin	2
cytolytic	2
cytoplasmic	2
data	2
day08pdf	2
defense	2
defensin	2
denaturation	2
dendritic	2
dependence	2
dewetting	2
diagram	2
dickey08pdf	2
difusion	2
dihedral	2
dimensions	2
dipole	2
direct	2
discoidal	2
disorder	2
disposition	2
disulfide	2
dna	2
dopc	2
driven	2
droplet	2
drosophila	2
dspc	2
e4	2
editorial	2
effector	2
egf	2
electric	2
electroformation	2
electroporation	2
emulsion	2
endosome	2
endothelium	2
entanglement	2
enviroment	2
enzymes	2
epithelia	2
equation	2
equilibrium	2
ergosterol	2
esr	2
ester	2
ether	2
evaluation	2
experiment	2
failure	2
fast	2
feng09pdf	2
fine	2
fitting	2
fluorinated	2
fluorocarbon	2
fluorocarbons	2
foldamer	2
foramtion	2
fragment	2
functions	2
gaba	2
gate	2
genes	2
gfp	2
glucose	2
glutamate	2
gpcr	2
gradient	2
guler09pdf	2
hax1	2
hdl	2
heart	2
heavy	2
helfrich	2
helical	2
her	2
heterogeneities	2
high	2
histone	2
hldl	2
hormone	2
host	2
hu08pdf	2
huang09pdf	2
human	2
hydrocarbon	2
hydroxyapatite	2
hypoxia	2
image	2
immunity	2
independent	2
inflammatory	2
inhibtors	2
integrins	2
interferon	2
intermediates	2
intermembrane	2
intermolecular	2
internal	2
ischemic	2
johanss09pdf	2
jurkat	2
kawai09pdf	2
khodad08pdf	2
kirkwood-buff	2
label	2
lange09pdf	2
lattic	2
leaflet	2
leak	2
lectin	2
lee09apdf	2
li09pdf	2
lifshitz	2
light	2
limit	2
linear	2
linkage	2
lipd	2
lipopeptides	2
lipotoxicity	2
liu08pdf	2
locksh08pdf	2
lockshin	2
lung	2
lysozyme	2
lytic	2
m	2
machinery	2
map	2
marangoni	2
martin09apdf	2
matching	2
maturation	2
maximum	2
mdr	2
metals	2
method	2
microinjection	2
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miscibility	2
mixture	2
modelling	2
modification	2
molecules	2
monomer	2
morphology	2
motifs	2
muller09pdf	2
multidrug	2
muscle	2
mutant	2
mvb	2
nadh	2
nak	2
nanoemulsions	2
native	2
necrosis	2
neimann	2
network	2
networks	2
neurons	2
nfkb	2
niemann	2
non	2
noncovalent	2
nonlammellar	2
not	2
noxa	2
nucleotide	2
number	2
oil	2
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only	2
open	2
organelle	2
osmolytes	2
osteoblast	2
over	2
pa	2
palmitate	2
parameters	2
parenteral	2
partition	2
path	2
per	2
peroxidase	2
petras08pdf	2
peturbation	2
phage	2
philosophy	2
phosphate	2
phosphotidylserine	2
photooxidation	2
poisson-boltzmann	2
popc	2
poration	2
porin	2
post	2
power	2
precursors	2
presequence	2
probe	2
probes	2
process	2
prostate	2
proteosome	2
ps	2
pu09pdf	2
qens	2
rankl	2
ras	2
reactions	2
reduction	2
regulator	2
relationship	2
reperfusion	2
repulsive	2
resorption	2
rheology	2
rodrig08pdf	2
rostov08pdf	2
rotation	2
saddle	2
saposin	2
screen	2
sculpting	2
secretase	2
selection	2
separations	2
shih08pdf	2
shock	2
simulations	2
skin	2
slow	2
solute	2
solutions	2
solvation	2
solvents	2
sorting	2
specificity	2
squamous	2
stable	2
stapled	2
storm	2
strength	2
stroke	2
sun09pdf	2
synuclein	2
systematic	2
t	2
tail	2
talk	2
taylor09pdf	2
tbid	2
testing	2
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tethering	2
thinning	2
threshold	2
tm	2
to	2
topology	2
toxic	2
transbilayer	2
transduction	2
transformation	2
transgenic	2
treatment	2
t-tubule	2
tubules	2
tweezers	2
ultrasound	2
unfolded	2
unilamellar	2
unnatural	2
upreti08pdf	2
ussing	2
vesiculation	2
vitro	2
vldl	2
vpu	2
waal	2
warburg	2
wolfe09pdf	2
wong08pdf	2
wu09pdf	2
xu08pdf	2
yamag09pdf	2
yao09pdf	2
you09pdf	2
yu09pdf	2
zhou09pdf	2
zn	2
0lsson05pdf	1
1985	1
1a	1
25-oh	1
2f2b-cells	1
3d	1
53	1
6	1
aaa-atpase	1
aaatpas	1
aaatpase	1
abad09pdf	1
abbas08pdf	1
abimos09pdf	1
ablation	1
abreu03pdf	1
accessibility	1
acetylation	1
ach	1
acidfication	1
acidification	1
acidity	1
acridine	1
activaiton	1
activates	1
activators	1
additivity	1
adenine	1
adhesion	1
adhesions	1
adipocytes	1
ae2	1
aedans	1
aerbaj03pdf	1
affinity	1
afluid	1
agent	1
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ahern08pdf	1
ahn09pdf	1
aif	1
ailer09pdf	1
akimov09pdf	1
alam09apdf	1
alam09pdf	1
alessa07pdf	1
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alkaline	1
alkane	1
alkanols	1
all	1
alleva08pdf	1
allosteic	1
allosterically	1
allostery	1
almeid09pdf	1
almeida08pdf	1
aloptosis	1
altamir08pdf	1
alternate	1
alternating	1
altherosclerosis	1
alzheimers	1
amantadine	1
amator09pdf	1
amatore09pdf	1
ambrosin09pdf	1
amide	1
amine	1
amitai09pdf	1
amphilie	1
amphipaths	1
amphipatic	1
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amphopilic	1
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amplification	1
amuloid	1
analog	1
analogue	1
analytical	1
ander00pdf	1
ander01pdf	1
ander02apdf	1
anders09pdf	1
andersen	1
andre08pdf	1
anesthesia	1
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anglin09pdf	1
anisotropic	1
annexin	1
annotation	1
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anomolus	1
ant	1
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anthra	1
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apoe	1
apoptosi	1
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arakaw09pdf	1
archeaa	1
arcisi09pdf	1
arkhip08pdf	1
arnoul08pdf	1
arouri08pdf	1
arsov09pdf	1
arthritis	1
artifact	1
arzoin08pdf	1
ashraf08pdf	1
aspiration	1
aspp	1
aspp2	1
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assel08pdf	1
assemble	1
assignment	1
associative	1
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asthan04pdf	1
asymmetry	1
atherosclerosis	1
atomistic	1
atophagy	1
attard09pdf	1
attractive	1
ausli09pdf	1
auth09pdf	1
autoimmune	1
autophagosome	1
autophagosomes	1
avbel09pdf	1
avidin	1
axonal	1
ayton09pdf	1
aytun08pdf	1
b1	1
bacillus	1
backov09pdf	1
bacteriorhodopsin	1
bae09pdf	1
bahar09pdf	1
baier09pdf	1
balakr09pdf	1
balali09pdf	1
balaz09pdf	1
baldwin09pdf	1
bali09pdf	1
balius09pdf	1
ballez09pdf	1
barbet09pdf	1
barik08pdf	1
barnard09pdf	1
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barth	1
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barysch09pdf	1
basic	1
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basu09pdf	1
bates07pdf	1
bates08pdf	1
baver09pdf	1
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bead	1
beck08pdf	1
beclin-1	1
beel08pdf	1
behaior	1
behrin08pdf	1
beign09pdf	1
belhoc04pdf	1
beliko09pdf	1
benabu09pdf	1
benn94apdf	1
benne94pdf	1
bennet09pdf	1
bennun09pdf	1
bental96pdf	1
benzodiazapine	1
berez08pdf	1
berg09pdf	1
bergs09pdf	1
berko08pdf	1
bernado09pdf	1
berre05pdf	1
bertor02pdf	1
bets	1
better	1
between	1
bhatta08pdf	1
bhatta09pdf	1
bhrf1	1
bialyer	1
bibtex-import	1
bicelle	1
bickm09pdf	1
bieder08pdf	1
bier	1
bif	1
bik	1
bilen08pdf	1
billen08pdf	1
bilyers	1
bimolecular	1
biofilms	1
biogenesis	1
bioluminescence	1
biomolecules	1
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	Simultaneous prediction of protein folding and docking at high resolution [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 45. (10 November 2009), pp. 18978-18983. by Rhiju Das, Ingemar AndrÃ©, Yang Shen, et al.Yibing Wu, Alexander Lemak, Sonal Bansal, Cheryl H. Arrowsmith, Thomas Szyperski, David Baker posted to unstructured simulation rosetta folding docking das09pdf binding based by paulschlesinger on 2009-11-12 00:10:36 as along with 4 people ahmetbakan apaydin ibuch zwang
	Protein-Induced Membrane Curvature Investigated through Molecular Dynamics Flexible Fitting [My Copy] Biophysical Journal, Vol. 97, No. 1. (08 July 2009), pp. 321-329. by Jen Hsin, James Gumbart, Leonardo G. Trabuco, et al.Elizabeth Villa, Pu Qian, C. Neil Hunter, Klaus Schulten posted to simulation membrane hsin09pdf curvature by paulschlesinger on 2009-11-10 23:17:19 as
	Asymmetric Distribution of Cholesterol in Unilamellar Vesicles of Monounsaturated Phospholipids [My Copy] Langmuir, Vol. 0, No. 0. (0000) by Norbert Kučerka, Mu-Ping Nieh, John Katsaras posted to unstaurated unilamellar simulation phospholipids kucerk09pdf cholesterol by paulschlesinger on 2009-08-13 18:07:57 as along with 1 person sobolevnrm
	Lipid Raft-Mediated Regulation of G-Protein Coupled Receptor Signaling by Ligands which Influence Receptor Dimerization: A Computational Study [My Copy] PLoS ONE, Vol. 4, No. 8. (11 August 2009), e6604. by Mohammad Fallahi-Sichani, Jennifer J. Linderman posted to simulation regulation receptor raft g-protein fallah09pdf dimerization by paulschlesinger on 2009-08-12 02:22:49 as
	Quantitative Prediction of Fold Resistance for Inhibitors of EGFR [My Copy] Biochemistry, Vol. 0, No. 0. (0000) by Trent E. Balius, Robert C. Rizzo posted to simulation resistance inhibitors flod egfr chemotherapy balius09pdf by paulschlesinger on 2009-08-12 02:08:23 as
	Prion Proteins with Pathogenic and Protective Mutations Show Similar Structure and Dynamics [My Copy] Biochemistry, Vol. 0, No. 0. (0000) by Sung-Hun Bae, Giuseppe Legname, Ana Serban, Stanley B. Prusiner, Peter E. Wright, H. Jane Dyson posted to bae09pdf correlation dynamics function prion protein simulation structural by paulschlesinger on 2009-08-11 02:00:34 as
	Insights into Protein Compressibility from Molecular Dynamics Simulations [My Copy] The Journal of Physical Chemistry B, Vol. 105, No. 3. (1 January 2001), pp. 715-724. by Voichita M. Dadarlat, Carol B. Post posted to dardar01pdf dynamics molecular protein simulation volume by paulschlesinger on 2009-08-02 02:43:27 as
	A molecular dynamics method for calculating molecular volume changes appropriate for biomolecular simulation. [My Copy] Biophysical journal, Vol. 85, No. 5. (November 2003), pp. 2801-2807. by Russell DeVane, Christina Ridley, Randy W. Larsen, Brian Space, Preston B. Moore, Sunney I. Chan posted to calculation devan03pdf md molecular simulation volume by paulschlesinger on 2009-08-02 02:33:31 as
	Determining the Local Shear Viscosity of a Lipid Bilayer System by Reverse Non-Equilibrium Molecular Dynamics Simulations [My Copy] ChemPhysChem, Vol. 10, No. 13. (2009), pp. 2305-2315. by Thomas J. Müller, Florian Müller-Plathe posted to ddetermination muller09pdf shear simulation viscosity by paulschlesinger on 2009-07-24 00:38:15 as along with 1 person sobolevnrm
	Role of Distributions of Intramolecular Concentrations on the Dynamics of Miscible Polymer Blends Probed by Molecular Dynamics Simulation [My Copy] Physical Review Letters, Vol. 103, No. 3. (2009), 037801. by Wenjuan Liu, Dmitry Bedrov, Sanat K. Kumar, Boris Veytsman, Ralph H. Colby posted to blends concentrations intramolecular liu09pdf miscible polymer simulation by paulschlesinger on 2009-07-19 02:57:04 as
	Stability of a Melittin Pore in a Lipid Bilayer: A Molecular Dynamics Study [My Copy] Biophysical Journal, Vol. 78, No. 4. (April 2000), pp. 1714-1724. by J. Lin posted to lin00pdf lipidic melittin membrane pore simulation by paulschlesinger on 2009-06-22 18:25:48 as
	Molecular dynamics simulation of pore growth in lipid bilayer membranes in the presence of edge-active agents [My Copy] Applied Physics Letters, Vol. 91, No. 20. (2007) by Dorel Moldovan, Dinesh Pinisetty, Ram V. Devireddy posted to bilayers dynamics formation moldov07pdf molecular phospholipid pore simulation by paulschlesinger on 2009-06-22 18:15:59 as along with 1 person and 1 group sobolevnrm baker-group
	Polarization and Polarizability Assessed by Protein Amide Acidity [My Copy] Biochemistry, Vol. 48, No. 27. (14 July 2009), pp. 6482-6494. by Griselda Hernández, Janet S. Anderson, David M. Lemaster posted to acidity amide hernan09pdf polarizaibility polarization simulation structure xray by paulschlesinger on 2009-06-21 02:00:37 as along with 2 people sobolevnrm carlosjavierna
	How can ab initio simulations address risks in nanotech? [My Copy] Nat Nano, Vol. 4, No. 6. (June 2009), pp. 332-335. by Amanda S. Barnard posted to barnard09pdf biology relavent simulation by paulschlesinger on 2009-06-06 01:10:35 as along with 2 people sobolevnrm yse
	Coarse-Grain Simulations of the R-SNARE Fusion Protein in its Membrane Environment Detect Long-Lived Conformational Sub-States [My Copy] ChemPhysChem, Vol. 9999, No. 9999. (2009), NA. by Marie-Pierre Durrieu, Peter j, Mark s, Richard Lavery, Marc Baaden posted to coarse-grain durrie09pdf membrane simulation snare by paulschlesinger on 2009-06-01 22:54:34 as
	Activation of Bax by joint action of tBid and mitochondrial outer membrane: Monte Carlo simulations [My Copy] European Biophysics Journal by Valery Veresov, Alexander Davidovskii posted to bax bid carlo membrane monte simulation veres09pdf by paulschlesinger on 2009-06-01 20:13:44 as
	Nanoscopic description of biomembrane electrostatics: Results of molecular dynamics simulations and fluorescence probing [My Copy] Chemistry and Physics of Lipids (27 May 2009) by Alexander P. Demchenko, Semen O. Yesylevskyy posted to demchen09pdf electrostatics membranes simulation by paulschlesinger on 2009-05-29 01:55:43 as along with 2 people and 1 group flbarroso sobolevnrm baker-group
	Molecular basis for Bcl-2 homology 3 domain recognition in the Bcl-2 protein family: identification of conserved hot spot interactions. [My Copy] The Journal of biological chemistry, Vol. 284, No. 26. (26 June 2009), pp. 17499-17511. by Gautier Moroy, Elyette Martin, Annick Dejaegere, Roland H. Stote posted to basis bcl-2 bh3 family interaction molecular moroy09pdf simulation by paulschlesinger on 2009-05-22 20:12:22 as
	Application of the fuzzy-oil-drop model to membrane protein simulation [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2009), NA. by Veronica Zobnina, Irena Roterman posted to drop fuzzy membrane method oil protein simulation zobni09pdf by paulschlesinger on 2009-05-21 01:26:53 as
	Role of Cardiolipins in the Inner Mitochondrial Membrane: Insight Gained through Atom-Scale Simulations [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 11. (19 March 2009), pp. 3413-3422. by Tomasz Róg, Hector Martinez-Seara, Nana Munck, Matej Orešič, Mikko Karttunen, Ilpo Vattulainen posted to atom cardiolipin mitochondria rog09pdf scale simulation by paulschlesinger on 2009-05-20 01:44:22 as along with 2 people and 1 group sobolevnrm carlosjavierna baker-group
	Interaction of an Antimicrobial Peptide with a Model Lipid Bilayer Using Molecular Dynamics Simulation [My Copy] Langmuir, Vol. 0, No. 0. (0000) by Wael Soliman, Subir Bhattacharjee, Kamaljit Kaur posted to antimicrobial bilayer peptide simulation soliman09pdf by paulschlesinger on 2009-05-20 00:03:03 as along with 1 person and 1 group sobolevnrm baker-group
	X-ray vs. NMR structures as templates for computational protein design [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 77, No. 1. (2009), pp. 97-110. by Michael Schneider, Xiaoran Fu, Amy E. Keating posted to comparison nmr schnei09pdf simulation xray by paulschlesinger on 2009-05-08 01:22:56 as along with 3 people klexa kgutwin reyez
	Contrasting disease and nondisease protein aggregation by molecular simulation. [My Copy] Accounts of chemical research, Vol. 41, No. 8. (August 2008), pp. 1037-1047. by N. L. Fawzi, E. H. Yap, Y. Okabe, K. L. Kohlstedt, S. P. Brown, T. Head-Gordon posted to aggregation amyloid fawzi09pdf protein simulation by paulschlesinger on 2009-04-14 00:48:37 as along with 1 person flbarroso
	Systematic multiscale simulation of membrane protein systems [My Copy] Current Opinion in Structural Biology (09 April 2009) by Gary S. Ayton, Gregory A. Voth posted to approach ayton09pdf membrane multiscale review simulation systematic by paulschlesinger on 2009-04-12 03:12:46 as along with 2 people and 2 groups sobolevnrm barry baker-group McCammon
	Long-timescale molecular dynamics simulations of protein structure and function. [My Copy] Current opinion in structural biology, Vol. 19, No. 2. (08 April 2009), pp. 120-127. by John L. Klepeis, Kresten Lindorff-Larsen, Ron O. Dror, David E. Shaw posted to klepeis09pdf long protein scale simulation time by paulschlesinger on 2009-04-10 02:49:16 as along with 11 people and 1 group xdeupi agrossfield allmensch bmduggan r2s2 apaydin kiekyon Borelli idoerg sobolevnrm edws baker-group
	Transport of Water in Small Pores [My Copy] Langmuir, Vol. 0, No. 0. (0000) by Shuangyan Xu, Gregory C. Simmons, T. S. Mahadevan, George W. Scherer, Stephen H. Garofalini, Carlos Pacheco posted to diffusion pore simulation small water xu09pdf by paulschlesinger on 2009-04-10 02:38:14 as along with 1 person jeevanjyoti
	Coarse-grained modeling of lipids [My Copy] Chemistry and Physics of Lipids, Vol. 159, No. 2. (02 June 2009), pp. 59-66. by Sandra V. Bennun, Matthew I. Hoopes, Chenyue Xing, Roland Faller posted to bennun09pdf coarse grain lipid model simulation by paulschlesinger on 2009-04-10 02:29:11 as along with 3 people edws flbarroso sobolevnrm
	Kinetics of Helix Unfolding: Molecular Dynamics Simulations with Milestoning† [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 26. (2 July 2009), pp. 7461-7473. by Krzysztof Kuczera, Gouri S. Jas, Ron Elber posted to helix kinetics kuczer09pdf simulation unfolding by paulschlesinger on 2009-04-10 02:24:27 as along with 1 person carlosjavierna
	Classical Simulation of Quantum Energy Flow in Biomolecules [My Copy] Physical Review Letters, Vol. 102, No. 11. (2009), 118301. by Gerhard Stock posted to classical mechanical qunatum simulation stock09pdf theory by paulschlesinger on 2009-04-02 23:32:14 as along with 2 people and 1 group biblioteca_babel sobolevnrm baker-group
	Monte Carlo simulation for statistical mechanics model of ion-channel cooperativity in cell membranes [My Copy] Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 79, No. 3. (2009), 031919. by Riza Erdem, Ekrem Aydiner posted to carlo channels cooperativity erdem09pdf gated monte simulation voltage by paulschlesinger on 2009-04-02 23:14:24 as
	Molecular dynamics simulations of membrane channels and transporters [My Copy] Current Opinion in Structural Biology (01 April 2009) by Fatemeh Khalili-Araghi, James Gumbart, Po-Chao Wen, Marcos Sotomayor, Emad Tajkhorshid, Klaus Schulten posted to channels khall09pdf membran protein review simulation by paulschlesinger on 2009-04-02 23:10:39 as along with 2 people and 1 group dimka sobolevnrm baker-group
	Elucidating the Inhibition Mechanism of HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors through Multicopy Molecular Dynamics Simulations [My Copy] Journal of Molecular Biology, Vol. 388, No. 3. (08 May 2009), pp. 644-658. by Anthony Ivetac, J. Andrew Mccammon posted to hiv inhibtors reverse simulation transcriptase by paulschlesinger on 2009-03-31 00:55:39 as along with 2 people and 1 group bmduggan sobolevnrm baker-group
	Accurate Prediction of Peptide Binding Sites on Protein Surfaces [My Copy] PLoS Comput Biol, Vol. 5, No. 3. (27 March 2009), e1000335. by Evangelia Petsalaki, Alexander Stark, Eduardo García-Urdiales, Robert B. Russell posted to docking interaction peptide petsal09pdf protein simulation sites by paulschlesinger on 2009-03-28 00:26:09 as along with 8 people and 1 group dfdong higueruelo pablocarb nickolay phoenixzxl neils idoerg sobolevnrm baker-group
	Atomistic Insights into Regulatory Mechanisms of the HER2 Tyrosine Kinase Domain: A Molecular Dynamics Study [My Copy] Biophysical Journal, Vol. 96, No. 6. (18 March 2009), pp. 2321-2334. by Shannon E. Telesco, Ravi Radhakrishnan posted to dimerization her phosphorylation simulation telesc09pdf by paulschlesinger on 2009-03-23 19:51:18 as
	Short-time motion of Brownian particles in a shear flow [My Copy] Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 79, No. 3. (2009), 031401. by Takuya Iwashita, Ryoichi Yamamoto posted to brownina flow iwash09pdf motion particles simulation by paulschlesinger on 2009-03-20 00:53:08 as along with 1 person kkims
	A coarse-grained potential for fold recognition and molecular dynamics simulations of proteins [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 76, No. 4. (2009), pp. 822-836. by Peter Májek, Ron Elber posted to coarse fold grain majek09pdf recognition simulation by paulschlesinger on 2009-03-18 01:17:20 as along with 1 person agrossfield
	Effects of alkali cations and halide anions on the DOPC lipid membrane. [My Copy] The journal of physical chemistry. A, Vol. 113, No. 26. (2 July 2009), pp. 7235-7243. by Robert Vácha, Shirley W. Siu, Michal Petrov, et al.Rainer A. Böckmann, Justyna Barucha-Kraszewska, Piotr Jurkiewicz, Martin Hof, Max L. Berkowitz, Pavel Jungwirth posted to alkali cations membrane simulation surface vacha09pdf by paulschlesinger on 2009-03-18 01:12:13 as along with 2 people and 1 group arnaucordomi sobolevnrm baker-group
	Molecular dynamics simulation of a mixed lipid emulsion model: Influence of the triglycerides on interfacial phospholipid organization [My Copy] Journal of Molecular Structure: THEOCHEM (26 January 2009) by Gaëlle Henneré, Patrice Prognon, Françoise Brion, Véronique Rosilio, Ioannis Nicolis posted to henner08pdf interfacial lipid membrane organization simulation by paulschlesinger on 2009-03-17 00:32:14 as along with 1 person and 1 group sobolevnrm baker-group
	Molecular dynamics study of a phospholipid monolayer at a water/triglyceride interface: towards lipid emulsion modelling [My Copy] Chemistry and Physics of Lipids, Vol. 157, No. 2. (February 2009), pp. 86-93. by G. Hennere, P. Prognon, F. Brion, I. Nicolis posted to henner09pdf interface phospholipid simulation triglyceride water by paulschlesinger on 2009-03-17 00:30:13 as along with 1 person and 1 group sobolevnrm baker-group
	Effect of cholesterol on the structure of a phospholipid bilayer [My Copy] Proceedings of the National Academy of Sciences (18 February 2009) by Frédérick de Meyer, Berend Smit posted to cholesterol demey09pdf membrane phospholipid simulation by paulschlesinger on 2009-03-11 00:32:16 as along with 4 people and 1 group kevinchannon sobolevnrm chiufanlee cjryan baker-group
	Dynamic Structure Factors from Lipid Membrane Molecular Dynamics Simulations [My Copy] Biophysical Journal, Vol. 96, No. 5. (04 March 2009), pp. 1828-1838. by Erik G. Brandt, Olle Edholm posted to brandt09pdf dynamic factors simulation structure by paulschlesinger on 2009-03-06 01:08:03 as along with 1 person and 1 group sobolevnrm baker-group
	Modeling the Micellization Behavior of Mixed and Pure n-Alkyl-Maltosides [My Copy] Langmuir, Vol. 0, No. 0. (0000) by Alekos D. Tsamaloukas, Andreas Beck, Heiko Heerklotz posted to micelle mixed pure simulation tsamal09pdf by paulschlesinger on 2009-03-06 00:47:47 as along with 1 person paberus
	Characterization of the Cationic DiC14-amidine Bilayer by Mixed DMPC/DiC14-amidine Molecular Dynamics Simulations Shows an Interdigitated Nonlamellar Bilayer Phase [My Copy] Langmuir, Vol. 0, No. 0. (0000) by Marc F. Lensink, Caroline Lonez, Jean-Marie Ruysschaert, Michel Vandenbranden posted to bilayer dic14-amidine dmpc lensin09pdf simulation by paulschlesinger on 2009-02-23 23:35:34 as
	On a novel rate theory for transport in narrow ion channels and its application to the study of flux optimization via geometric effects [My Copy] The Journal of Chemical Physics, Vol. 130, No. 8. (2009) by E. Abad, J. Reingruber, M. S. P. Sansom posted to abad09pdf channel diffusion geometry narrow simulation by paulschlesinger on 2009-02-23 23:13:00 as
	Molecular dynamics calculations suggest a conduction mechanism for the M2 proton channel from influenza A virus [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 4. (27 January 2009), pp. 1069-1074. by Ekta Khurana, Matteo D. Peraro, Russell Devane, Satyavani Vemparala, William F. Degrado, Michael L. Klein posted to channel khuran09pdf m2 mechanism proton simulation by paulschlesinger on 2009-01-28 20:16:27 as along with 1 person qshao
	Coarse-grained molecular dynamics simulations of membrane proteins and peptides. [My Copy] J Struct Biol (20 October 2006) by Peter J J. Bond, John Holyoake, Anthony Ivetac, Syma Khalid, Mark S P S. Sansom posted to bond07pdf membrane protein review simulation by paulschlesinger on 2009-01-21 02:33:38 as along with 4 people krapnik dimka choonpeng sunnytov
	Thermodynamic Analysis of the Effect of Cholesterol on Dipalmitoylphosphatidylcholine Lipid Membranes [My Copy] Journal of the American Chemical Society, Vol. 0, No. 0. (0000) by Drew W. F. Bennett, Justin L. Maccallum, Peter D. Tieleman posted to bennet09pdf cholesterol membrane simulation thermodynamics by paulschlesinger on 2009-01-16 19:21:31 as along with 1 person and 1 group sobolevnrm baker-group
	Melting of Individual Lipid Components in Binary Lipid Mixtures Studied by FTIR Spectroscopy, DSC and Monte Carlo Simulations [My Copy] Biochimica et Biophysica Acta (BBA) - Biomembranes (14 December 2008) by M. Fidorra, T. Heimburg, H. Seeger posted to carlo dsc fidorr08pdf fitr melting monte simulation by paulschlesinger on 2008-12-23 00:12:51 as
	Molecular Dynamics Simulations of Discoidal Bilayers Assembled from Truncated Human Lipoproteins [My Copy] Biophys. J., Vol. 88, No. 1. (1 January 2005), pp. 548-556. by Amy Y. Shih, Ilia G. Denisov, James C. Phillips, Stephen G. Sligar, Klaus Schulten posted to bilayer discoidal hldl shih08pdf simulation by paulschlesinger on 2008-12-16 18:24:53 as along with 3 people and 1 group sobolevnrm gjuggler softsimu baker-group
	Computer Simulations and Theory of Protein Translocation [My Copy] Accounts of Chemical Research, Vol. 42, No. 2. (17 February 2009), pp. 281-289. by Dmitrii E. Makarov posted to makar08pdf protein simulation translocation by paulschlesinger on 2008-12-16 16:08:35 as along with 2 people biblioteca_babel carlosjavierna

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