Density-dependent analysis of nonequilibrium paths improves free energy estimates

Por Minh, David D. L.
Publicado em 2009

Implicit ligand theory: Rigorous binding free energies and thermodynamic expectations from molecular docking

Por Minh, David D. L.
Publicado em 2012

Comment on “Transient-state fluctuation like relation for the driving force on a biomolecule”

Por Minh, David D. L.
Publicado em 2012

Wide-Angle X-Ray Solution Scattering for Protein-Ligand Binding: Multivariate Curve Resolution with Bayesian Confidence Intervals

Por Minh, David D.L., Makowski, Lee
Publicado em 2013

Hamiltonian Monte Carlo with Constrained Molecular Dynamics as Gibbs Sampling

Por Spiridon, Laurentiu, Minh, David D. L.
Publicado no J Chem Theory Comput (2017)

Optimized free energies from bidirectional single-molecule force spectroscopy

Por Minh, David D. L., Adib, Artur B.
Publicado em 2008

Optimal estimators and asymptotic variances for nonequilibrium path-ensemble averages

Por Minh, David D. L., Chodera, John D.
Publicado em 2009

Path integral analysis of Jarzynski’s equality: Analytical results

Por Minh, David D. L., Adib, Artur B.
Publicado em 2009

Absolute binding free energies between T4 lysozyme and 141 small molecules: calculations based on multiple rigid receptor configurations

Por Xie, Bing, Nguyen, Trung Hai, Minh, David D. L.
Publicado no J Chem Theory Comput (2017)

Method to Predict Crowding Effects by Postprocessing Molecular Dynamics Trajectories: Application to the Flap Dynamics of HIV-1 Protease

Por Qin, Sanbo, Minh, David D. L., McCammon, J. Andrew, Zhou, Huan-Xiang
Publicado em 2009

Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation

Por Nilmeier, Jerome P., Crooks, Gavin E., Minh, David D. L., Chodera, John D.
Publicado em 2011

The Influence of Macromolecular Crowding on HIV-1 Protease Internal Dynamics

Por Minh, David D.L., Chang, Chia-en, Trylska, Joanna, Tozzini, Valentina, McCammon, J. Andrew
Publicado em 2006

Identification of the Catalytic Ubiquinone-binding Site of Vibrio cholerae Sodium-dependent NADH Dehydrogenase: A NOVEL UBIQUINONE-BINDING MOTIF

Por Tuz, Karina, Li, Chen, Fang, Xuan, Raba, Daniel A., Liang, Pingdong, Minh, David D. L., Juárez, Oscar
Publicado no J Biol Chem (2017)

The Entropic Cost of Protein-Protein Association: A Case Study on Acetylcholinesterase Binding to Fasciculin-2

Por Minh, David D. L., Bui, Jennifer M., Chang, Chia-en, Jain, Tushar, Swanson, Jessica M. J., McCammon, J. Andrew
Publicado em 2005