Author

S. D. Parsons

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Biophysics· 1

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Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Approach:statistical model· 1

Frequent Co-Authors

C. J. Dickson· 1 shared C. Molteni· 1 shared D. Berta· 1 shared E. Rosta· 1 shared G. M. Mandana· 1 shared H. Gu· 1 shared M. Badaoui· 1 shared M. Kato· 1 shared

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2021-2021 · peak 1/yr

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10 top collaborators · 45 mutual co-author links

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1 shared paperBiophysics

C. J. Dickson

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1 paper

Recent·Most cited

BiophysicsbioRxivSep 8, 2021

Combined free energy calculation and machine learning methods for understanding ligand unbinding kinetics

M. Badaoui, P. J. Buigues, D. Berta…·E. Rosta

This paper develops a computational method combining free energy calculations and machine learning to predict ligand unbinding kinetics and identify key interactions for drug design.

DOI 10.1021/acs.jctc.1c00924

deep learningstatistical model

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