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My research interests are focused on the development and application of computational methods for studying the structure, function, and dynamics of proteins. I have worked for more than thirty years on problems involving the interplay between computational models in structural biology and experiments at different levels of resolution and different time scales. Using a statistical mechanics framework, we are mapping conformational free energy landscapes that determine the statistical thermodynamic basis for protein-ligand binding and allostery. We are surveying corresponding fitness landscapes in sequence space, and developing new statistical methods to analyze how correlated mutations evolve under drug selection pressure, leading to resistance. I have authored over two hundred publications, H index 67.
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Papers共 839 篇Author StatisticsCo-AuthorSimilar Experts
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JOURNAL OF PHYSICAL CHEMISTRY Bno. 7 (2024): 1656-1667
Research square (2024)
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICAno. 15 (2024): e2316662121-e2316662121
bioRxiv : the preprint server for biology (2024)
Neil H. Segal,Aiwu R. He, Toshihiko Doi,Ronald Levy,Shailender Bhatia,Michael J. Pishvaian,Rossano Cesari, Ying Chen,Craig B. Davis, Bo Huang,Aron D. Thall,Ajay K. Gopal
crossref(2023)
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