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David Minh
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Remarkable loop flexibility in avian influenza N1 and its implications for antiviral drug design
RE Amaro, DDL Minh, LS Cheng, WM Lindstrom, AJ Olson, JH Lin, WW Li, ...
Journal of the American Chemical Society 129 (25), 7764-7765, 2007
1822007
Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation
JP Nilmeier, GE Crooks, DDL Minh, JD Chodera
Proceedings of the National Academy of Sciences 108 (45), E1009-E1018, 2011
1272011
Molecular crowding inhibits intramolecular breathing motions in proteins
L Makowski, DJ Rodi, S Mandava, DDL Minh, DB Gore, RF Fischetti
Journal of molecular biology 375 (2), 529-546, 2008
1102008
Optimized free energies from bidirectional single-molecule force spectroscopy
DDL Minh, AB Adib
Physical review letters 100 (18), 180602, 2008
1062008
The influence of macromolecular crowding on HIV-1 protease internal dynamics
DDL Minh, C Chang, J Trylska, V Tozzini, JA McCammon
Journal of the American Chemical Society 128 (18), 6006-6007, 2006
1062006
Optimal estimators and asymptotic variances for nonequilibrium path-ensemble averages
DDL Minh, JD Chodera
The Journal of chemical physics 131 (13), 2009
662009
The entropic cost of protein-protein association: a case study on acetylcholinesterase binding to fasciculin-2
DDL Minh, JM Bui, C Chang, T Jain, JMJ Swanson, JA McCammon
Biophysical journal 89 (4), L25-L27, 2005
572005
Method to predict crowding effects by postprocessing molecular dynamics trajectories: application to the flap dynamics of HIV-1 protease
S Qin, DDL Minh, JA McCammon, HX Zhou
The journal of physical chemistry letters 1 (1), 107-110, 2010
432010
Springs and speeds in free energy reconstruction from irreversible single-molecule pulling experiments
DDL Minh, JA McCammon
The Journal of Physical Chemistry B 112 (19), 5892-5897, 2008
412008
Understanding the Hastings algorithm
DDL Minh, DL Minh
Communications in Statistics-Simulation and Computation 44 (2), 332-349, 2015
402015
Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors
COVID Moonshot Consortium, H Achdout, A Aimon, DS Alonzi, R Arbon, ...
BioRxiv, 2020.10. 29.339317, 2020
352020
X‐ray solution scattering studies of the structural diversity intrinsic to protein ensembles
L Makowski, D Gore, S Mandava, D Minh, S Park, DJ Rodi, RF Fischetti
Biopolymers 95 (8), 531-542, 2011
352011
Absolute binding free energies between T4 lysozyme and 141 small molecules: calculations based on multiple rigid receptor configurations
B Xie, TH Nguyen, DDL Minh
Journal of chemical theory and computation 13 (6), 2930-2944, 2017
322017
Simple entropy terms for end-point binding free energy calculations
WM Menzer, C Li, W Sun, B Xie, DDL Minh
Journal of chemical theory and computation 14 (11), 6035-6049, 2018
292018
Characterization of the Pseudomonas aeruginosa NQR complex, a bacterial proton pump with roles in autopoisoning resistance
DA Raba, M Rosas-Lemus, WM Menzer, C Li, X Fang, P Liang, K Tuz, ...
Journal of Biological Chemistry 293 (40), 15664-15677, 2018
292018
Implicit ligand theory: Rigorous binding free energies and thermodynamic expectations from molecular docking
DDL Minh
The Journal of chemical physics 137 (10), 2012
272012
Path integral analysis of Jarzynski’s equality: Analytical results
DDL Minh, AB Adib
Physical Review E 79 (2), 021122, 2009
272009
Free-energy reconstruction from experiments performed under different biasing programs
DDL Minh
Physical Review E 74 (6), 061120, 2006
272006
Bayesian analysis of isothermal titration calorimetry for binding thermodynamics
TH Nguyen, AS Rustenburg, SG Krimmer, H Zhang, JD Clark, PA Novick, ...
PLoS One 13 (9), e0203224, 2018
252018
Wide-angle X-ray solution scattering for protein-ligand binding: multivariate curve resolution with bayesian confidence intervals
DDL Minh, L Makowski
Biophysical journal 104 (4), 873-883, 2013
252013
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Articles 1–20