List of works - David D L Minh

A Structural Model for Bax∆2-Mediated Activation of Caspase 8-Dependent Apoptosis

scientific article published on 31 July 2020

Absolute Binding Free Energies between T4 Lysozyme and 141 Small Molecules: Calculations Based on Multiple Rigid Receptor Configurations.

scientific article published on 21 April 2017

Alchemical Grid Dock (AlGDock) calculations in the D3R Grand Challenge 3 : Binding free energies between flexible ligands and rigid receptors

scientific article published on 06 August 2018

Alchemical Grid Dock (AlGDock): Binding Free Energy Calculations between Flexible Ligands and Rigid Receptors

scientific article published on 09 August 2019

Bayesian analysis of isothermal titration calorimetry for binding thermodynamics

scientific article published in PLoS ONE

Comment on “Transient-state fluctuationlike relation for the driving force on a biomolecule” ⬇️

scientific article published on May 17, 2012

Conserved residue His-257 of Vibrio cholerae flavin transferase ApbE plays a critical role in substrate binding and catalysis

scientific article published on 26 July 2019

Correction to "Efficiency of Stratification for Ensemble Docking Using Reduced Ensembles"

scientific article published on 07 February 2019

Correction to Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica Exchange

scientific article published on 31 May 2018

Density-dependent analysis of nonequilibrium paths improves free energy estimates II. A Feynman-Kac formalism.

scientific article published in January 2011

Effects of Catalytic Action and Ligand Binding on Conformational Ensembles of Adenylate Kinase.

scientific article

Efficiency of Stratification for Ensemble Docking Using Reduced Ensembles

scientific article published on 29 August 2018

Hamiltonian Monte Carlo with Constrained Molecular Dynamics as Gibbs Sampling

scientific article published on 11 September 2017

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

scientific article published on 4 January 2017

Implicit ligand theory for relative binding free energies

scientific article published in March 2018

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

scientific article published on September 14, 2012

Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica Exchange

scientific article published on 21 April 2016

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

scientific article published on 9 November 2009

Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation.

scientific article published on 24 October 2011

Nonequilibrium path-ensemble averages for symmetric protocols

scientific article published on 01 November 2019

On Restraints in End-Point Protein-Ligand Binding Free Energy Calculations

scientific article published on 10 December 2019

On the polarization of ligands by proteins

scientific article published on 18 May 2020

Optimized replica gas estimation of absolute integrals and partition functions ⬇️

scientific article published on September 24, 2010

Power transformations improve interpolation of grids for molecular mechanics interaction energies.

scientific article published on 18 February 2018

Simple Entropy Terms for End-Point Binding Free Energy Calculations

article

Using the fast fourier transform in binding free energy calculations

scientific article published on 22 December 2017

Wide-angle X-ray solution scattering for protein-ligand binding: multivariate curve resolution with Bayesian confidence intervals.

scientific article published on February 2013

X-ray solution scattering studies of the structural diversity intrinsic to protein ensembles