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Disambiguation of "Chodera, John D."

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Markov models of molecular kinetics: Generation and validation

, , , , , , , , and . The Journal of Chemical Physics, (2011)
DOI: http://dx.doi.org/10.1063/1.3565032

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John D Howgate

D Böttger

D Zeppenfeld

D Zumkeller

D Breunig

 

Other publications of authors with the same name

Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics., , , and . J. Comput. Aided Mol. Des., 27 (12): 989-1007 (2013)OpenMM 7: Rapid development of high performance algorithms for molecular dynamics, , , , , , , , , and 3 other author(s). PLOS Computational Biology, 13 (7): 1-17 (July 2017)OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials., , , , , , , , , and 12 other author(s). CoRR, (2023)Markov models of molecular kinetics: Generation and validation, , , , , , , , and . The Journal of Chemical Physics, (2011)Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics, , , , and . The Journal of Chemical Physics, (2007)Markov state models of biomolecular conformational dynamics, and . Current Opinion in Structural Biology, (2014)The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations., , , , , , , , , and 7 other author(s). J. Comput. Aided Mol. Des., 34 (5): 601-633 (2020)Alchemical free energy methods for drug discovery: progress and challenges, , , , , and . Current Opinion in Structural Biology, 21 (2): 150 - 160 (2011)Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes Using Nonequilibrium Candidate Monte Carlo, , , , , , , and . (2017)SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials., , , , , , , , , and 2 other author(s). CoRR, (2022)