loison's simulations [25 articles] Export

Recent papers added to loison's library classified by the tag simulations. You can also see everyone's simulations.

	Ensemble-Based Convergence Analysis of Biomolecular Trajectories [My Copy] Biophys. J., Vol. 91, No. 1. (1 July 2006), pp. 164-172. by Edward Lyman, Daniel M. Zuckerman posted to convergence simulations by loison on 2008-11-10 14:39:57 as along with 1 person and 2 groups barry structural_bioinformatics Bioinformatics
	Simulations of the Absorption and Fluorescence of Indole in Aqueous Solution and at a Nonpolar/Polar Interface [My Copy] J. Phys. Chem. A, Vol. 111, No. 42. (25 October 2007), pp. 10468-10477. by A. Ohrn, G. Karlstrom posted to indole optical simulations tryptophan by loison on 2008-09-08 11:49:28 as along with 1 person A_Coletta_Thesis
	Interaction of the Antimicrobial Peptide Cyclo(RRWWRF) with Membranes by Molecular Dynamics Simulations [My Copy] Biophys. J., Vol. 89, No. 4. (1 October 2005), pp. 2296-2306. by Christian Appelt, Frank Eisenmenger, Ronald Kuhne, Peter Schmieder, Arvid J. Soderhall posted to antimicrobialpeptides membrane simulations by loison on 2008-09-05 08:56:25 as
	Sign Change of Hyperpolarizabilities of Solvated Water, Revised: Effects of Equilibrium and Nonequilibrium Solvation [My Copy] J. Phys. Chem. A, Vol. 108, No. 41. (14 October 2004), pp. 8961-8965. by K. O. Sylvester-Hvid, K. V. Mikkelsen, P. Norman, D. Jonsson, H. Agren posted to hyperpolarizability simulations water by loison on 2008-07-31 15:20:09 as
	Simulation of the Mechanical Strength of a Single Collagen Molecule [My Copy] Biophys. J., Vol. 95, No. 1. (1 July 2008), pp. 33-39. by In, Mark J. Stevens posted to collagen simulations by loison on 2008-06-23 15:24:06 as
	Density functional self-consistent quantum mechanics/molecular mechanics theory for linear and nonlinear molecular properties: Applications to solvated water and formaldehyde [My Copy] The Journal of Chemical Physics, Vol. 126, No. 15. (2007) by Christian B. Nielsen, Ove Christiansen, Kurt V. Mikkelsen, Jacob Kongsted posted to hyperpolarizability simulations water by loison on 2008-06-13 11:51:15 as
	The N-terminal 12 Residue Long Peptide of HIV gp41 is the Minimal Peptide Sufficient to Induce Significant T-cell-like Membrane Destabilization in Vitro [My Copy] Journal of Molecular Biology, Vol. 359, No. 3. (9 June 2006), pp. 597-609. by B. Charloteaux, A. Lorin, J. M. Crowet, et al.V. Stroobant, L. Lins, A. Thomas, R. Brasseur posted to gp41 hiv simulations by loison on 2008-06-09 11:10:20 as
	Comparison of multiple Amber force fields and development of improved protein backbone parameters [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 65, No. 3. (2006), pp. 712-725. by Viktor Hornak, Robert Abel, Asim Okur, Bentley Strockbine, Adrian Roitberg, Carlos Simmerling posted to simulations trpzip by loison on 2008-05-29 12:19:47 as
	Molecular Dynamics Simulations of Indolicidin Association with Model Lipid Bilayers [My Copy] Biophys. J., Vol. 92, No. 12. (15 June 2007), pp. L100-102. by Jenny C. Hsu, Christopher M. Yip posted to antimicrobialpeptides simulations by loison on 2008-05-20 09:52:01 as
	Peptide folding simulations [My Copy] Current Opinion in Structural Biology, Vol. 13, No. 2. (April 2003), pp. 168-174. by S. Gnanakaran, Hugh Nymeyer, John Portman, Kevin Y. Sanbonmatsu, Angel E. García posted to simulations by loison on 2008-05-14 13:22:22 as along with 1 person onufriev
	Molecular Dynamics Simulations Applied to Electric Field Induced Second Harmonic Generation in Dipolar Chromophore Solutions [My Copy] J. Phys. Chem. B, Vol. 110, No. 18. (11 May 2006), pp. 8971-8977. by Y. Tu, Y. Luo, H. Agren posted to shg simulations by loison on 2008-05-06 09:28:34 as
	Molecular dynamics simulations of local field factors [My Copy] The Journal of Chemical Physics, Vol. 127, No. 1. (2007) by Qiong Zhang, Yaoquan Tu, He Tian, Hans Gren posted to local_fields simulations theory by loison on 2008-04-30 10:20:04 as
	Multiscale simulation of transmembrane proteins [My Copy] Journal of Structural Biology In Advances in Molecular Dynamics Simulations, Vol. 157, No. 3. (March 2007), pp. 570-578. by Gary S. Ayton, Gregory A. Voth posted to coarsegrain membrane peptides simulations by loison on 2007-05-04 18:04:33 as
	Coarse Grained Protein-Lipid Model with Application to Lipoprotein Particles [My Copy] J. Phys. Chem. B, Vol. 110, No. 8. (2 March 2006), pp. 3674-3684. by A. Y. Shih, A. Arkhipov, P. L. Freddolino, K. Schulten posted to coarsegrain membrane peptides simulations by loison on 2007-05-04 18:03:03 as along with 1 person choonpeng
	Coarse-grained molecular dynamics simulations of membrane proteins and peptides [My Copy] Journal of Structural Biology In Advances in Molecular Dynamics Simulations, Vol. 157, No. 3. (March 2007), pp. 593-605. by Peter J. Bond, John Holyoake, Anthony Ivetac, Syma Khalid, Mark S. Sansom posted to coarsegrain membrane peptides simulations by loison on 2007-05-03 17:05:46 as
	Atomistic Mechanism of NaCl Nucleation from an Aqueous Solution [My Copy] Physical Review Letters, Vol. 92, No. 4. (Jan 2004), 040801. by Dirk Zahn posted to tps simulations by loison on 2007-01-12 09:20:36 as along with 1 person rdf
	Unprejudiced identification of reaction mechanisms from biased transition path sampling [My Copy] The Journal of Chemical Physics, Vol. 123, No. 4. (2005) by Dirk Zahn posted to tps simulations by loison on 2007-01-12 08:58:04 as
	Molecular dynamics simulations of molecular beam deflection experiments [My Copy] Chemical Physics Letters, Vol. 423, No. 1-3. (20 May 2006), pp. 13-16. by Ph Dugourd, R. Antoine, El, D. Rayane, M. Broyer, F. Calvo posted to experiments lasim simulations by loison on 2007-01-08 13:24:45 as
	Monte Carlo simulations of flexible molecules in a static electric field: electric dipole and conformation [My Copy] Chemical Physics Letters, Vol. 401, No. 1-3. (1 January 2005), pp. 1-6. by P. Poulain, R. Antoine, M. Broyer, P. Dugourd posted to lasim mc peptides simulations by loison on 2006-12-22 10:20:13 as
	Role of Aromatic Localization in the Gating Process of a Potassium Channel [My Copy] Biophys. J., Vol. 90, pp. L01-L03. by Carmen Domene, Satyavani Vemparala, Michael L. Klein, Catherine Vénien-Bryan, Declan A. Doyle posted to aromaticaminoacids membraneprotein simulations theory by loison on 2006-11-28 10:58:20 as
	Evaluating Tilt Angles of Membrane-Associated Helices: Comparison of Computational and NMR Techniques [My Copy] Biophys. J., Vol. 90, No. 5. (1 March 2006), pp. 1650-1660. by Martin B. Ulmschneider, Mark S. Sansom, Alfredo Di Nola posted to antibiotic experiments peptide simulations theory by loison on 2006-11-27 15:03:41 as along with 2 people and 1 group thaliana xdeupi LabCompMed
	Headgroup Hydration and Mobility of DOTAP/DOPC Bilayers: A Fluorescence Solvent Relaxation Study [My Copy] Langmuir, Vol. 22, No. 21. (10 October 2006), pp. 8741-8749. by P. Jurkiewicz, A. Olzynska, M. Langner, M. Hof posted to bilayer amphiphiles simulations solvationdynamics theory by loison on 2006-11-21 15:25:38 as
	A Molecular Dynamics Study of Lys-Trp-Lys: Structure and Dynamics in Solution Following Photoexcitation [My Copy] J. Phys. Chem. B, Vol. 110, No. 21. (1 June 2006), pp. 10497-10508. by A. A. Hassanali, T. Li, D. Zhong, S. J. Singer posted to simulations solvationdynamics theory tryptophan by loison on 2006-11-21 15:17:20 as
	The behavior of reorientational correlation functions of water at the water-lipid bilayer interface [My Copy] The Journal of Chemical Physics, Vol. 125, No. 9. (2006) by Shreyas Y. Bhide, Max L. Berkowitz posted to bilayer simulations solvationdynamics by loison on 2006-11-21 15:15:22 as
	Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids [My Copy] Journal of the American Chemical Society, Vol. 118, No. 45. (1 January 1996), pp. 11225-11236. by William L. Jorgensen, David S. Maxwell, Julian Tirado-Rives posted to opls simulations theory by loison on 2006-10-26 13:23:01 as along with 9 people dimka snichols15 flbarroso tovrstra dfgreen sunnytov BragilMassoud softsimu Diego_Prada

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theory	140
hyperpolarizability	123
shg	89
experiments	74
crystalviolet	62
simulation	39
collagen	38
tddft	35
triazole	33
solvent	30
water	27
file-import-09-05-18	25
simulations	25
protein	24
binaphthol	20
myosin	20
tryptophan	20
melittin	17
peptide	17
porphyrin	17
sds	17
solvation	16
antimicrobialpeptides	15
dft	15
peptides	15
pna	14
lasim	13
solarcells	13
formamide	12
lc-tddft	12
adf	11
gromacs	11
micelle	11
octupolar	11
bilayer	10
experiment	10
hrs	10
nma	10
casscf	9
cv	9
excitedstate	9
qmmm	9
spectrum	9
membrane	8
parallel_tempering	8
pdb	8
qm-mm	8
optical	7
sgh	7
solvationdynamics	7
trp	7
gp41	6
hiv	6
organic	6
sers	6
siesta	6
vanderwaals	6
amide	5
functionals	5
hyperralayscattering	5
moleculardynamics	5
nonlinear	5
remd	5
vibration	5
absorption	4
antimicrobialpeptide	4
calculations	4
cation-pi	4
claire	4
drf	4
fluorescence	4
forcefields	4
fuelcell	4
hyperpoparizability	4
imaging	4
micelles	4
microscopy	4
microsolvation	4
onl	4
pem	4
phasediagram	4
polymer	4
pore	4
qacr	4
structure	4
tubulin	4
aimd	3
charge-transfer	3
cluster	3
coarsegrain	3
coarse-grained	3
cpmd	3
electricdipole	3
fields	3
gaussian	3
indole	3
interfaces	3
lipid	3
lipidmonolayers	3
lippert	3
multiphoton_microscopy	3
pp2	3
review	3
shape	3
tip5p	3
tps	3
two-states-model	3
urea	3
actin	2
amber	2
aminoacids	2
amphiphiles	2
antibiotic	2
benzene	2
cd	2
cea	2
circular_dichroism	2
cristal	2
dr1	2
excited	2
femtosecond	2
finite	2
force	2
functional	2
ir	2
lsdau	2
magainin	2
marivi	2
method	2
model	2
muscle	2
nlo	2
nmr	2
optics	2
polarisability	2
pores	2
porphin	2
saop	2
scrf	2
sfg	2
spc	2
states	2
surface	2
trpzip	2
vesicule	2
violet	2
ab	1
acetamide	1
afmm	1
aladan	1
amber99sb	1
antimicrobial	1
aromaticaminoacids	1
b3lyp	1
becke	1
benzene-h20	1
benzene-water	1
biology	1
carbenium	1
carbocation	1
casi2	1
cells	1
charge	1
chemistry	1
chiral	1
click	1
clusters	1
coarsegrained	1
coarse-grained-models	1
colloids	1
compounds	1
conventions	1
convergence	1
coupled_oscillators	1
cristalviolet	1
crystalstructure	1
ddft	1
defects	1
dendrimres	1
diagram	1
dialanine	1
dpc	1
dppg	1
dynamic	1
dynamics	1
edft	1
efd	1
efish	1
electron	1
elph	1
energy	1
environments	1
enzyme	1
esses	1
excitonic	1
fibril	1
field	1
forcematching	1
formaldehyde	1
formation	1
four-component	1
gap	1
geometruoptimization	1
gromos	1
guanine	1
gw	1
helge	1
helix	1
homo-lumo	1
hydrogen_bonds	1
hydrogenloss	1
imidazole	1
implementation	1
indanonce	1
initio	1
ions	1
kerr	1
lamellar	1
lanthanides	1
light	1
lipids	1
liquiscrystals	1
local_fields	1
magainine	1
malachitegreen	1
mathematique	1
mc	1
md	1
mebranepotential	1
melitttin	1
membraneprotein	1
metadynamics	1
metal	1
methylorange	1
methylviolet	1
mgcni3	1
mixed-valence	1
molcas	1
mollerplesset	1
moment	1
monolayer	1
nan3	1
nematics	1
nlodye	1
nlodyes	1
nlopredict	1
non-covalent	1
octopus	1
oniom	1
onsager	1
opls	1
oplsaa	1
optic	1
oxadiazole	1
pcm	1
perdew	1
phases	1
photodetachment	1
planeity	1
polyimide	1
pp	1
ppg10	1
proc	1
prolymer	1
proteine	1
protein_membrane	1
protontransfert	1
puroindoline	1
pyridilaxazole	1
qchem	1
quild	1
rayleigh	1
realtddft	1
real_time	1
rebo	1
reorganization	1
resistance	1
sarcomere	1
scartch	1
scattering	1
shapes	1
solar	1
solid	1
solute_tempering	1
sos	1
spce	1
surfactants	1
tendon	1
tetramer	1
thiadiazole	1
transfert	1
transition	1
transport	1
tryptophane	1
two-photon	1
umbrella_sampling	1
uv	1
xray	1

loison's simulations [25 articles] Export

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