Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation von Nilmeier, Jerome P, Crooks, Gavin E, Minh, David D. L, Chodera, John D

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Bayesian regression and model selection for isothermal titration calorimetry with enantiomeric mixtures von Nguyen, Trung Hai, La, Van N T, Burke, Kyle, Minh, David D L

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Bayesian Regression Quantifies Uncertainty of Binding Parameters from Isothermal Titration Calorimetry More Accurately Than Error Propagation von La, Van N. T., Minh, David D. L.

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Bayesian analysis of isothermal titration calorimetry for binding thermodynamics von Nguyen, Trung Hai, Rustenburg, Ariën S, Krimmer, Stefan G, Zhang, Hexi, Clark, John D, Novick, Paul A, Branson, Kim, Pande, Vijay S, Chodera, John D, Minh, David D L

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Effects of Catalytic Action and Ligand Binding on Conformational Ensembles of Adenylate Kinase von Onuk, Emre, Badger, John, Wang, Yu Jing, Bardhan, Jaydeep, Chishti, Yasmin, Akcakaya, Murat, Brooks, Dana H, Erdogmus, Deniz, Minh, David D. L, Makowski, Lee

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Learned mappings for targeted free energy perturbation between peptide conformations von Willow, Soohaeng Yoo, Kang, Lulu, Minh, David D. L.

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Simple Entropy Terms for End-Point Binding Free Energy Calculations von Menzer, William M, Li, Chen, Sun, Wenji, Xie, Bing, Minh, David D. L

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Absolute Binding Free Energies between T4 Lysozyme and 141 Small Molecules: Calculations Based on Multiple Rigid Receptor Configurations von Xie, Bing, Nguyen, Trung Hai, Minh, David D. L

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On Restraints in End‐Point Protein–Ligand Binding Free Energy Calculations von Menzer, William M., Xie, Bing, Minh, David D. L.

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On the polarization of ligands by proteins von Willow, Soohaeng Yoo, Xie, Bing, Lawrence, Jason, Eisenberg, Robert S, Minh, David D. L

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The Influence of Macromolecular Crowding on HIV-1 Protease Internal Dynamics von Minh, David D. L, Chang, Chia-en, Trylska, Joanna, Tozzini, Valentina, McCammon, J. Andrew

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Efficiency of Stratification for Ensemble Docking Using Reduced Ensembles von Xie, Bing, Clark, John D, Minh, David D. L

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Role of Subunit D in Ubiquinone-Binding Site of Vibrio cholerae NQR: Pocket Flexibility and Inhibitor Resistance von Raba, Daniel A, Yuan, Ming, Fang, Xuan, Menzer, William M, Xie, Bing, Liang, Pingdong, Tuz, Karina, Minh, David D. L, Juárez, Oscar

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Correction to Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica Exchange von Nguyen, Trung Hai, Minh, David D. L

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Hamiltonian Monte Carlo with Constrained Molecular Dynamics as Gibbs Sampling von Spiridon, Laurentiu, Minh, David D. L

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Correction to “Efficiency of Stratification for Ensemble Docking Using Reduced Ensembles” von Xie, Bing, Clark, John D, Minh, David D. L

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Nonequilibrium path-ensemble averages for symmetric protocols von Nguyen, Trung Hai, Ngo, Van, Castro Zerba, João Paulo, Noskov, Sergei, Minh, David D. L.

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Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica Exchange von Nguyen, Trung Hai, Minh, David D. L

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Remarkable Loop Flexibility in Avian Influenza N1 and Its Implications for Antiviral Drug Design von Amaro, Rommie E., Minh, David D. L., Cheng, Lily S., Lindstrom, William M., Olson, Arthur J., Lin, Jung-Hsin, Li, Wilfred W., McCammon, J. Andrew

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On Inactivation of the Coronavirus Main Protease von Nguyen, Hong Ha, Tufts, Jim, Minh, David D. L.

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