Learned mappings for targeted free energy perturbation between peptide conformations
Willow, Soohaeng Yoo, Kang, Lulu, Minh, David D L
Published in The Journal of chemical physics (28.09.2023)
Published in The Journal of chemical physics (28.09.2023)
Get more information
Journal Article
On Inactivation of the Coronavirus Main Protease
Nguyen, Hong Ha, Tufts, Jim, Minh, David D. L.
Published in Journal of chemical information and modeling (11.03.2024)
Published in Journal of chemical information and modeling (11.03.2024)
Get full text
Journal Article
On the polarization of ligands by proteins
Willow, Soohaeng Yoo, Xie, Bing, Lawrence, Jason, Eisenberg, Robert S, Minh, David D. L
Published in Physical chemistry chemical physics : PCCP (04.06.2020)
Published in Physical chemistry chemical physics : PCCP (04.06.2020)
Get full text
Journal Article
Simple Entropy Terms for End-Point Binding Free Energy Calculations
Menzer, William M, Li, Chen, Sun, Wenji, Xie, Bing, Minh, David D. L
Published in Journal of chemical theory and computation (13.11.2018)
Published in Journal of chemical theory and computation (13.11.2018)
Get full text
Journal Article
On Restraints in End‐Point Protein–Ligand Binding Free Energy Calculations
Menzer, William M., Xie, Bing, Minh, David D. L.
Published in Journal of computational chemistry (05.03.2020)
Published in Journal of computational chemistry (05.03.2020)
Get full text
Journal Article
A Structural Model for Bax∆2-Mediated Activation of Caspase 8-Dependent Apoptosis
Xie, Bing, Yao, Qi, Xiang, Jialing, Minh, David D L
Published in International journal of molecular sciences (31.07.2020)
Published in International journal of molecular sciences (31.07.2020)
Get full text
Journal Article
Electrostatics and water occlusion regulate covalently‐bound flavin mononucleotide cofactors of Vibrio cholerae respiratory complex NQR
Willow, Soohaeng Yoo, Yuan, Ming, Juárez, Oscar, Minh, David D. L.
Published in Proteins, structure, function, and bioinformatics (01.10.2021)
Published in Proteins, structure, function, and bioinformatics (01.10.2021)
Get full text
Journal Article
Efficiency of Stratification for Ensemble Docking Using Reduced Ensembles
Xie, Bing, Clark, John D, Minh, David D. L
Published in Journal of chemical information and modeling (24.09.2018)
Published in Journal of chemical information and modeling (24.09.2018)
Get full text
Journal Article
Hamiltonian Monte Carlo with Constrained Molecular Dynamics as Gibbs Sampling
Spiridon, Laurentiu, Minh, David D. L
Published in Journal of chemical theory and computation (10.10.2017)
Published in Journal of chemical theory and computation (10.10.2017)
Get full text
Journal Article
Bayesian analysis of isothermal titration calorimetry for binding thermodynamics
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
Published in PloS one (13.09.2018)
Published in PloS one (13.09.2018)
Get full text
Journal Article
Effects of Catalytic Action and Ligand Binding on Conformational Ensembles of Adenylate Kinase
Onuk, Emre, Badger, John, Wang, Yu Jing, Bardhan, Jaydeep, Chishti, Yasmin, Akcakaya, Murat, Brooks, Dana H, Erdogmus, Deniz, Minh, David D. L, Makowski, Lee
Published in Biochemistry (Easton) (29.08.2017)
Published in Biochemistry (Easton) (29.08.2017)
Get full text
Journal Article