Richard H. Henchman - researchr alias

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Viewing Publication 1 - 10 from 10

2021

Energy-entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host-guest challengeHafiz Saqib Ali, Arghya Chakravorty, Jas Kalayan, Sam P. de Visser, Richard H. Henchman. jcamd, 35(8):911-921, 2021. [doi]

Energy-entropy prediction of octanol-water logP of SAMPL7 N-acyl sulfonamide bioisostersFabio Falcioni, Jas Kalayan, Richard H. Henchman. jcamd, 35(7):831-840, 2021. [doi]

2020

Entropy of Proteins Using Multiscale Cell CorrelationArghya Chakravorty, Jonathan Higham, Richard H. Henchman. jcisd, 60(11):5540-5551, 2020. [doi]

Extending the Martini Coarse-Grained Force Field to N-GlycansAishwary T. Shivgan, Jan K. Marzinek, Roland G. Huber, Alexander Krah, Richard H. Henchman, Paul Matsudaira, Chandra S. Verma 0001, Peter J. Bond. jcisd, 60(8):3864-3883, 2020. [doi]

2019

Entropy of Simulated Liquids Using Multiscale Cell CorrelationHafiz Saqib Ali, Jonathan Higham, Richard H. Henchman. entropy, 21(8):750, 2019. [doi]

2018

Overcoming the limitations of cutoffs for defining atomic coordination in multicomponent systemsJonathan Higham, Richard H. Henchman. jcc, 39(12):705-710, 2018. [doi]

2010

Inhibitors of PIM-1 Kinase: A Computational Analysis of the Binding Free Energies of a Range of Imidazo [1, 2-b] PyridazinesSlimane Doudou, Raman Sharma, Richard H. Henchman, David W. Sheppard, Neil A. Burton. jcisd, 50(3):368-379, 2010. [doi]

2002

Extracting hydration sites around proteins from explicit water simulationsRichard H. Henchman, James Andrew McCammon. jcc, 23(9):861-869, 2002. [doi]

1999

Free energies of hydration using restrained electrostatic potential derived charges via free energy perturbations and linear responseRichard H. Henchman, Jonathan W. Essex. jcc, 20(5):499-510, 1999. [doi]

Generation of OPLS-like charges from molecular electrostatic potential using restraintsRichard H. Henchman, Jonathan W. Essex. jcc, 20(5):483-498, 1999. [doi]

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