Követés
David Minh
Cím
Hivatkozott rá
Hivatkozott rá
Év
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
1852007
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
1382011
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
1132006
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
1122008
Optimized free energies from bidirectional single-molecule force spectroscopy
DDL Minh, AB Adib
Physical review letters 100 (18), 180602, 2008
1072008
Optimal estimators and asymptotic variances for nonequilibrium path-ensemble averages
DDL Minh, JD Chodera
The Journal of chemical physics 131 (13), 2009
682009
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
592005
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, ...
Science 382 (6671), eabo7201, 2023
582023
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
442010
Understanding the Hastings algorithm
DDL Minh, DL Minh
Communications in Statistics-Simulation and Computation 44 (2), 332-349, 2015
422015
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
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
392020
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
362018
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
362011
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
352017
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
342018
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
302018
Implicit ligand theory: Rigorous binding free energies and thermodynamic expectations from molecular docking
DDL Minh
The Journal of chemical physics 137 (10), 2012
282012
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
272013
Path integral analysis of Jarzynski’s equality: Analytical results
DDL Minh, AB Adib
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 79 (2 …, 2009
272009
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Cikkek 1–20