Regenerative Markov Chain Monte Carlo for Any Distribution. - Do Le Paul Minh; David D. L. Minh; Andrew L. Nguyen (Commun. Stat. Simul. Comput., 2012)

Understanding the Hastings Algorithm. - David D. L. Minh; Do Le Paul Minh (Commun. Stat. Simul. Comput., 2015)

Layer Sampling. - David D. L. Minh; Do Le Paul Minh; Andrew L. Nguyen (Commun. Stat. Simul. Comput., 2016)

Power transformations improve interpolation of grids for molecular mechanics interaction energies. - David D. L. Minh (J. Comput. Chem., 2018)

Using the fast fourier transform in binding free energy calculations. - Trung Hai Nguyen; Huan-Xiang Zhou; David D. L. Minh (J. Comput. Chem., 2018)

Efficiency of Stratification for Ensemble Docking Using Reduced Ensembles. - Bing Xie; John D. Clark; David D. L. Minh (J. Chem. Inf. Model., 2018)

Alchemical Grid Dock (AlGDock) calculations in the D3R Grand Challenge 3 - Binding free energies between flexible ligands and rigid receptors. - Bing Xie; David D. L. Minh (J. Comput. Aided Mol. Des., 2019)

Correction to "Efficiency of Stratification for Ensemble Docking Using Reduced Ensembles". - Bing Xie; John D. Clark; David D. L. Minh (J. Chem. Inf. Model., 2019)

On Restraints in End-Point Protein-Ligand Binding Free Energy Calculations. - William M. Menzer; Bing Xie; David D. L. Minh (J. Comput. Chem., 2020)

Alchemical Grid Dock (AlGDock): Binding Free Energy Calculations between Flexible Ligands and Rigid Receptors. - David D. L. Minh (J. Comput. Chem., 2020)

On Inactivation of the Coronavirus Main Protease. - Hong Ha Nguyen; Jim Tufts; David D. L. Minh (J. Chem. Inf. Model., 2024)

Intracellular Pocket Conformations Determine Signaling Efficacy through the μ Opioid Receptor. - David A. Cooper; Joseph Depaolo-Boisvert; Stanley A. Nicholson; Barien Gad; David D. L. Minh (J. Chem. Inf. Model., 2025)