Articles with public access mandates - B. J. Berne or Bruce J Berne or Bruce BerneLearn more
Available somewhere: 35
Replica exchange with solute scaling: a more efficient version of replica exchange with solute tempering (REST2)
L Wang, RA Friesner, BJ Berne
The Journal of Physical Chemistry B 115 (30), 9431-9438, 2011
Mandates: US National Institutes of Health
Urea denaturation by stronger dispersion interactions with proteins than water implies a 2-stage unfolding
L Hua, R Zhou, D Thirumalai, BJ Berne
Proceedings of the National Academy of Sciences 105 (44), 16928-16933, 2008
Mandates: US National Institutes of Health
Dewetting and hydrophobic interaction in physical and biological systems
BJ Berne, JD Weeks, R Zhou
Annual review of physical chemistry 60, 85-103, 2009
Mandates: US National Institutes of Health
Spectral gap optimization of order parameters for sampling complex molecular systems
P Tiwary, BJ Berne
Proceedings of the National Academy of Sciences 113 (11), 2839-2844, 2016
Mandates: US National Science Foundation, US National Institutes of Health
On achieving high accuracy and reliability in the calculation of relative protein–ligand binding affinities
L Wang, BJ Berne, RA Friesner
Proceedings of the National Academy of Sciences 109 (6), 1937-1942, 2012
Mandates: US National Institutes of Health
Prediction of protein–ligand binding poses via a combination of induced fit docking and metadynamics simulations
AJ Clark, P Tiwary, K Borrelli, S Feng, EB Miller, R Abel, RA Friesner, ...
Journal of chemical theory and computation 12 (6), 2990-2998, 2016
Mandates: US National Institutes of Health
Role of water in mediating the assembly of Alzheimer amyloid-β Aβ16− 22 protofilaments
MG Krone, L Hua, P Soto, R Zhou, BJ Berne, JE Shea
Journal of the American Chemical Society 130 (33), 11066-11072, 2008
Mandates: US National Institutes of Health
Ligand binding to protein-binding pockets with wet and dry regions
L Wang, BJ Berne, RA Friesner
Proceedings of the National Academy of Sciences 108 (4), 1326-1330, 2011
Mandates: US National Institutes of Health
How and when does an anticancer drug leave its binding site?
P Tiwary, J Mondal, BJ Berne
Science advances 3 (5), e1700014, 2017
Mandates: US National Science Foundation, US National Institutes of Health
When Does Trimethylamine N-Oxide Fold a Polymer Chain and Urea Unfold It?
J Mondal, G Stirnemann, BJ Berne
The Journal of Physical Chemistry B 117 (29), 8723-8732, 2013
Mandates: US National Institutes of Health
How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory
J Mondal, D Halverson, ITS Li, G Stirnemann, GC Walker, BJ Berne
Proceedings of the National Academy of Sciences 112 (30), 9270-9275, 2015
Mandates: US National Institutes of Health, Natural Sciences and Engineering Research …
Diversity of chemical mechanisms in thioredoxin catalysis revealed by single-molecule force spectroscopy
R Perez-Jimenez, J Li, P Kosuri, I Sanchez-Romero, AP Wiita, ...
Nature structural & molecular biology 16 (8), 890-896, 2009
Mandates: US National Institutes of Health
Elasticity, structure, and relaxation of extended proteins under force
G Stirnemann, D Giganti, JM Fernandez, BJ Berne
Proceedings of the National Academy of Sciences 110 (10), 3847-3852, 2013
Mandates: US National Institutes of Health
Single homopolypeptide chains collapse into mechanically rigid conformations
L Dougan, J Li, CL Badilla, BJ Berne, JM Fernandez
Proceedings of the National Academy of Sciences 106 (31), 12605-12610, 2009
Mandates: US National Institutes of Health
How force unfolding differs from chemical denaturation
G Stirnemann, SG Kang, R Zhou, BJ Berne
Proceedings of the National Academy of Sciences 111 (9), 3413-3418, 2014
Mandates: US National Institutes of Health
Probing static disorder in Arrhenius kinetics by single-molecule force spectroscopy
TL Kuo, S Garcia-Manyes, J Li, I Barel, H Lu, BJ Berne, M Urbakh, ...
Proceedings of the National Academy of Sciences 107 (25), 11336-11340, 2010
Mandates: US National Institutes of Health
Dewetting transitions in protein cavities
T Young, L Hua, X Huang, R Abel, R Friesner, BJ Berne
Proteins: Structure, Function, and Bioinformatics 78 (8), 1856-1869, 2010
Mandates: US National Institutes of Health
Role of water and steric constraints in the kinetics of cavity–ligand unbinding
P Tiwary, J Mondal, JA Morrone, BJ Berne
Proceedings of the National Academy of Sciences 112 (39), 12015-12019, 2015
Mandates: US National Institutes of Health
Rate limit of protein elastic response is tether dependent
R Berkovich, RI Hermans, I Popa, G Stirnemann, S Garcia-Manyes, ...
Proceedings of the National Academy of Sciences 109 (36), 14416-14421, 2012
Mandates: Swiss National Science Foundation, US National Institutes of Health
Role of desolvation in thermodynamics and kinetics of ligand binding to a kinase
J Mondal, RA Friesner, BJ Berne
Journal of chemical theory and computation 10 (12), 5696-5705, 2014
Mandates: US National Institutes of Health
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