Author

Hepan Tan

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Pharmacology & Toxicology· 1

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Research Focus:drug response / drug discovery· 1 Approach:mechanistic / dynamical model· 1

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Lei Xie· 1 shared Xiaoxia Ge· 1 shared

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2019-2019 · peak 1/yr

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1 shared paperPharmacology & Toxicology

Lei Xie

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1 paper

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Pharmacology & ToxicologybioRxivPreprintMar 6, 2019

Structure-Unbinding Kinetics Relationship of p38 MAPK Inhibitors

Xiaoxia Ge, Hepan Tan, Lei Xie

The paper investigates unbinding kinetics of two p38 MAPK inhibitors using simulations, revealing that hydrophobic and hydrogen-bonding interactions in the R1 group influence unbinding rates.

DOI 10.1101/510255

mechanistic / dynamical modeldrug response / drug discovery

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