flbarroso's mc [31 articles] Export Sort

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

Hide details

	Sixth, seventh and eighth virial coefficients of the Lennard-Jones model [My Copy] Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, Vol. 107, No. 21. (2009), pp. 2309-2318. by Andrew J. Schultz, David A. Kofke posted to virial sampling mc lennard_jones by flbarroso on 2009-09-26 04:56:44 as
	Docking by Monte Carlo minimization with a solvation correction: Application to an FKBP - substrate complex [My Copy] Journal of Computational Chemistry, Vol. 18, No. 6. (1997), pp. 723-743. by Amedeo Caflisch, Stefan Fischer, Martin Karplus posted to protein-drug mc docking by flbarroso on 2009-09-12 23:34:51 as along with 1 person melo_mcr
	MCCE2: Improving protein p<I>K</I><SUB><FONT SIZE='-1'>a</FONT></SUB> calculations with extensive side chain rotamer sampling [My Copy] Journal of Computational Chemistry, Vol. 30, No. 14. (2009), pp. 2231-2247. by Yifan Song, Junjun Mao, M. R. Gunner posted to pka mc electrostatics continnum by flbarroso on 2009-09-12 23:26:15 as along with 3 people and 1 group girayenkavi sobolevnrm RamuAnandakrishnan baker-group
	A New Monte Carlo Method for the Titration of Molecules and Minerals [My Copy] Applied Parallel Computing. State of the Art in Scientific Computing (2009), pp. 66-72. by Christophe Labbez, Bo Jönsson posted to titration mineral mc electrostatics by flbarroso on 2009-08-14 16:05:10 as
	A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions [My Copy] The Journal of Chemical Physics, Vol. 112, No. 20. (2000), pp. 8910-8922. by Michael W. Mahoney, William L. Jorgensen posted to force-fields mc modeling water by flbarroso on 2009-07-21 18:30:14 as along with 2 people Lombardo_7 loison
	Electrical double layer forces. A Monte Carlo study [My Copy] The Journal of Chemical Physics, Vol. 80, No. 5. (1984), pp. 2221-2228. by Lars Guldbrand, Bo Jönsson, Haa K. Wennerström, Per Linse posted to colloids electrostatics ion-ion_correlation mc pb by flbarroso on 2009-07-21 15:58:07 as along with 2 people BjoernAlbrecht dna
	Monte Carlo simulation of biomolecular systems with BIOMCSIM [My Copy] Computer Physics Communications, Vol. 141, No. 3. (1 December 2001), pp. 375-402. by H. Kamberaj posted to cytochrome mc protein simulation trypsin by flbarroso on 2009-07-21 15:42:13 as
	Measurement and Modelling of Sequence-specific pKaValues of Lysine Residues in Calbindin D9k [My Copy] Journal of Molecular Biology, Vol. 259, No. 4. (21 June 1996), pp. 828-839. by T. Kesvatera posted to calbindin calcium-binding mc nmr pka titration by flbarroso on 2009-07-21 15:41:16 as
	Contact pair dynamics during folding of two small proteins: chicken villin head piece and the Alzheimer protein beta-amyloid. [My Copy] The Journal of chemical physics, Vol. 120, No. 3. (15 January 2004), pp. 1602-1612. by A. Mukherjee, B. Bagchi posted to alzheimer bd fluorescence folding mc peptide by flbarroso on 2009-07-19 18:52:25 as along with 2 people and 2 groups ana choonpeng structural_bioinformatics Bioinformatics
	Protein modeling with reduced representation: statistical potentials and protein folding mechanism. [My Copy] Acta biochimica Polonica, Vol. 52, No. 4. (2005), pp. 741-748. by Dariusz Ekonomiuk, Marcin Kielbasinski, Andrzej Kolinski posted to folding immunoglobulin mc protein statistical_potentials by flbarroso on 2009-07-19 18:47:55 as along with 1 person saunders
	Faunus: An object oriented framework for molecular simulation. [My Copy] Source code for biology and medicine, Vol. 3, No. 1. (1 February 2008) by M. Lund, M. Trulsson, B. Persson posted to mc protein simulation by flbarroso on 2009-07-19 02:17:46 as along with 3 people mikaellund OndrejMarsalek GeeSharpMinor
	Monte Carlo simulations of biomolecules: The MC module in CHARMM [My Copy] Journal of Computational Chemistry, Vol. 27, No. 2. (30 January 2006), pp. 203-216. by Jie Hu, Ao Ma, Aaron R. Dinner posted to mc protein simulation by flbarroso on 2009-07-19 02:10:41 as along with 1 person msuarezdiez
	Integrated Modeling Program, Applied Chemical Theory (IMPACT). [My Copy] Journal of computational chemistry, Vol. 26, No. 16. (December 2005), pp. 1752-1780. by Jay L. Banks, Hege S. Beard, Yixiang Cao, et al.Art E. Cho, Wolfgang Damm, Ramy Farid, Anthony K. Felts, Thomas A. Halgren, Daniel T. Mainz, Jon R. Maple, Robert Murphy, Dean M. Philipp, Matthew P. Repasky, Linda Y. Zhang, Bruce J. Berne, Richard A. Friesner, Emilio Gallicchio, Ronald M. Levy posted to born mc md qmmm simulation by flbarroso on 2009-07-19 02:04:38 as along with 2 people oteri onufriev
	Computer Simulation of Biomolecular systems [My Copy] Vol. 2 (1993) edited by W. F. van Gunsteren, P. K. Weiner, A. J. Wilkinson posted to mc md simulation by flbarroso on 2009-07-18 18:12:58 as
	Computer Simulation of Liquids [My Copy] (1989) by M. P. Allen, D. J. Tildesley posted to mc md simulation by flbarroso on 2009-07-18 15:04:24 as
	Applications of the Monte Carlo Methods to statistical physics [My Copy] Rep. Prog. Phys., Vol. 60 (1997), pp. 487-559. by K. Binder posted to mc reviews by flbarroso on 2009-07-18 14:59:59 as
	On the simulation of thermodynamic and structural properties of simple liquids [My Copy] The Journal of Chemical Physics, Vol. 95, No. 4. (1991), pp. 2717-2726. by Bo Svensson, Torbjörn Akesson, Clifford E. Woodward posted to liquids mc by flbarroso on 2009-07-17 02:09:04 as
	Activity coefficients in sea water using Monte Carlo simulations [My Copy] Marine Chemistry, Vol. 80, No. 2-3. (January 2003), pp. 95-101. by M. Lund posted to activity_coefficients mc widom by flbarroso on 2009-07-17 02:05:38 as along with 1 person mikaellund
	Electrostatic Models for Calcium Binding Proteins [My Copy] The Journal of Physical Chemistry B, Vol. 102, No. 43. (1 October 1998), pp. 8599-8610. by Robert Penfold, James Warwicker, Bo Jonsson posted to calcium-binding electrostatics ion-binding mc pb by flbarroso on 2009-07-17 02:04:46 as
	Equation of State Calculations by Fast Computing Machines [My Copy] The Journal of Chemical Physics, Vol. 21, No. 6. (1953), pp. 1087-1092. by Nicholas Metropolis, Arianna W. Rosenbluth, Marshall N. Rosenbluth, Augusta H. Teller, Edward Teller posted to mc by flbarroso on 2009-07-17 01:43:53 as along with 26 people eyliu zhaidong philipppixel iantunbridge wei LGNR mcbla mrkn Diego_Prada jjray muraken scalptob ppeeling gale82 Jarosik apostola chad_davis tobin mkurc rabio gcalda Akimasa Bc91 guxiyou petermilner naegele
	Protein−Ion Binding Process on Finite Macromolecular Concentration. A Poisson−Boltzmann and Monte Carlo Study [My Copy] The Journal of Physical Chemistry B, Vol. 112, No. 51. (25 December 2008), pp. 16766-16776. by Sidney J. de Carvalho, Márcia O. Fenley, F. L. B. Da Silva posted to calcium-binding concentration-effect electrostatics ion-binding mc pb by flbarroso on 2009-07-17 00:17:49 as along with 1 person and 1 group sobolevnrm baker-group
	Monte Carlo Simulations of Lysozyme Self-Association in Aqueous Solution [My Copy] The Journal of Physical Chemistry B, Vol. 105, No. 48. (1 December 2001), pp. 12189-12195. by Fredrik Carlsson, Martin Malmsten, Per Linse posted to lysozyme mc protein-protein by flbarroso on 2009-07-06 00:06:59 as
	Go with the winners: a general Monte Carlo strategy [My Copy] Computer Physics Communications, Vol. 147, No. 1-2. (01 August 2002), pp. 64-70. by Peter Grassberger posted to mc mc-sampling by flbarroso on 2009-06-24 18:30:15 as along with 1 person mrm
	New Monte Carlo algorithms for protein folding. [My Copy] Current opinion in structural biology, Vol. 9, No. 2. (April 1999), pp. 177-183. by U. H. Hansmann, Y. Okamoto posted to folding mc by flbarroso on 2009-06-24 18:29:20 as along with 6 people apaydin dgront rabio insectopalo iantunbridge nigham
	Parallelization of adaptive MC integrators [My Copy] Computer Physics Communications, Vol. 106, No. 3. (November 1997), pp. 258-266. by R. Kreckel posted to mc parallelization by flbarroso on 2009-06-21 19:32:01 as
	The folding thermodynamics and kinetics of crambin using an all-atom monte carlo simulation [My Copy] Journal of Molecular Biology, Vol. 308, No. 1. (20 April 2001), pp. 79-95. by J. Shimada posted to crambin folding mc by flbarroso on 2009-06-21 19:29:13 as
	Folding protein alpha-carbon chains into compact forms by Monte Carlo methods. [My Copy] Proteins, Vol. 14, No. 3. (November 1992), pp. 409-420. by D. G. Covell posted to folding mc by flbarroso on 2009-06-15 15:59:52 as
	Dynamic Monte Carlo simulations of a new lattice model of globular protein folding, structure and dynamics [My Copy] Journal of Molecular Biology, Vol. 221, No. 2. (20 September 1991), pp. 499-531. by J. Skolnick posted to folding mc by flbarroso on 2009-06-15 15:58:07 as
	Multiscale Simulation of Soft Matter: From Scale Bridging to Adaptive Resolution [My Copy] Annual Review of Physical Chemistry, Vol. 59, No. 1. (2008), pp. 545-571. by Matej Praprotnik, Luigi Delle Site, Kurt Kremer posted to mc md modeling protein by flbarroso on 2009-02-05 16:34:30 as along with 5 people and 1 group loison whitead rok softsimu RamuAnandakrishnan Jiang Research Group
	Structure of concentrated aqueous NaCl solution: A Monte Carlo study [My Copy] The Journal of Chemical Physics, Vol. 110, No. 6. (1999), pp. 3070-3078. by Léo Degrève, F. L. B. Da Silva posted to mc nacl by flbarroso on 2009-01-27 14:20:18 as
	Monte Carlo Simulations [My Copy] Molecular Modeling of Proteins (2008), pp. 25-36. by David J. Earl, Michael W. Deem posted to mc by flbarroso on 2009-01-27 10:32:27 as

Note: You may cite this page as: http://www.citeulike.org/user/flbarroso/tag/mc

Sort by:
Order:	Default Ascending Descending
Empty fields:	Default First Last

electrostatics	445
protein-protein	235
protein	186
folding	176
bioinformatics	129
md	116
binding	116
beta-lactoglobulin	87
protein-polyelectrolyte	82
pb	70
drug-design	69
continnum	67
force-fields	65
applications	62
database	60
solvation	56
lysozyme	56
docking	55
free_energy	54
calcium-binding	52
water	50
pka	50
prediction	48
modeling	45
hydrophobicity	43
whey	39
ph	36
titration	35
polyelectrolytes	32
albumin	31
system_biology	31
calmodulin	31
mc	31
protein-surface	30
alfa-lactalbumin	30
liquids	30
complexation	29
chitosan	29
virial	28
aggregation	28
dielectric	26
drug-delivery	26
reviews	25
coacervate	25
membrane	25
crystallization	25
simulation	24
charge-regulation	23
polarizable	21
electrophoresis	21
born	21
amyloid	20
colloids	20
enzyme	19
peptide	19
milk	17
ion-binding	17
alzheimer	17
polymer	17
rmc	17
light-scattering	16
barnase	16
pectin	15
dna	15
nanoparticles	14
cancer	14
microcapsules	14
van-der-waals	14
ionic-strength	13
lactoferrin	13
thrombin	12
barstar	12
hemoglobin	12
qmmm	11
stability	10
acacia	10
antibody-antigen	10
solvent_accessible_surface	10
lattice_models	10
protein-drug	9
caseins	9
chromatography	9
micelles	9
sampling	9
hirudin	9
channel	9
calorimetry	8
evolutive	8
mc-sampling	8
entropy	8
protein-peptide	8
structural-changes	8
nmr	8
calbindin	8
solubility	7
hpmodel	7
strategic_planning	7
flexibility	7
ph-effect	6
x-ray	6
discontinuities	6
protein-dna	6
trypsin	6
double_layer	6
pi	6
soft_matter	6
pk	6
actin	6
hiv	6
effective-potentials	6
ion-pairs	5
prion	5
molecular_dynamics_package	5
thermodynamics	5
activity_coefficients	5
like-charged	5
immunoglobulin	5
osmotic	5
hofmeister	5
separation	5
intermolecular-forces	5
homology	5
ribonuclease	5
patch	5
fluid	5
myosin	5
emulsions	5
chymotrypsin	4
ovalbumin	4
spectroscopy	4
design	4
cytochrome	4
hamaker	4
validation_protein	4
nacl	4
on-the-wrong-side	4
ca_chain_models	4
ion-ion_correlation	4
concentration-effect	4
thrombomodulin	3
afm	3
genomics	3
chymotrypsinogen	3
widom	3
biological_physics	3
similarity	3
fluorescence	3
myoglobin	3
lie	3
multiscale_modeling	3
protein_families	3
nanostructure	3
statistical_potentials	3
ca	3
debye-huckel	3
protein_structure	3
diseases	3
spectrometry	3
mineral	2
thioredoxin	2
non-electrostatic	2
nanotechnology	2
bacteria	2
allostery	2
igg	2
zeta-potential	2
cholesterol	2
protein-family	2
coarse_grain	2
amorphous	2
brushes	2
heparin	2
precipitation	2
fatty-acids	2
ferritin	2
influenza	2
sedimentation	2
gels	2
antioxidant	2
toxin	2
lectin	2
xanthan	2
chromatin	2
dvlo	2
sod	2
anesthetics	2
bd	2
blood	2
fibril	2
hyaluronic	2
oppositely-charged	2
chemistry2	2
food	2
clays	2
coarse-graining	2
nanotubes	2
sir	2
alignment	2
transferases	1
tannins	1
trichosurin	1
tanford-kirkwood	1
fructose	1
acetylcholinesterase	1
drude	1
turbidity	1
rnasea	1
prion_proteins	1
multi-objective	1
lidocaine	1
gel-filtration	1
cyclodextrin	1
calcyclin	1
crambin	1
ovomucoid	1
epr	1
hydration	1
pvs	1
bapta	1
pectase	1
fasciculin	1
diffraction	1
antimicrobial	1
spectophotometry	1
cathepsin	1
science	1
ab_initio	1
melatonin	1
zeolites	1
kallikrein	1
cements	1
fulleran	1
gramicidin	1
aot	1
ionic_liquids	1
qsar	1
synechococcus	1
microtubules	1
lipid_bilayers	1
calspermin	1
geometry	1
percolation	1
structural_genomics	1
microscopic	1
pollen	1
protein_g	1
dissociation	1
paa	1
potential_energy	1
alginate	1
proteome	1
p53	1
diabetes	1
interaction_forces	1
copper_proteins	1
generalized	1
lattice_boltzmann	1
ubiquitin	1
histone	1
ribosome	1
tyrosinase	1
dispersion	1
phase_diagram	1
contact_map	1
encapsulation	1
quantum_chemistry	1
pdmdaac	1
three-body	1
rhodamine	1
virus_structure_and_assembly	1
nmr_experiments	1
lennard_jones	1
vaccines	1
trifluoperazine	1
random_numbers	1
tryptase	1
lactoperoxidase	1
mean_field	1
peroxidase	1
antibiotics	1
surface_area	1
genomes	1
history	1
fibroin	1
protease	1
scattering	1
transferrin	1
anemia	1
raman	1
chelator	1
peg	1
collagen	1
dendrimer	1
surfaces	1
coagulation	1
electron-transfer	1
tubulin	1
quantum_chemical	1
gama-globulin	1
tetracene	1
enkephalin	1
argon_gas	1
vesicle	1
crowding	1
silica_material	1
histidines	1
proteomics	1
polysaccharide	1
attractive_forces	1
pss	1
psoriasin	1
ras-raf	1
parallelization	1
parkinson	1
counterion-condensation	1

flbarroso's mc [31 articles] Export Sort

flbarroso's tags