Characterizing Protein–Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease-Reference-Cited by-同舟云学术

Characterizing Protein–Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease

Author:

Whitfield Troy W.¹²^ORCID,Ragland Debra A.³,Zeldovich Konstantin B.²,Schiffer Celia A.³^ORCID

Affiliation:

1. Department of Medicine, University of Massachusetts Medical School, Worcester, Massachusetts 01605, United States

2. Program in Bioinformatics and Integrative Biology, University of Massachusetts Medical School, Worcester, Massachusetts 01605, United States

3. Department of Biochemistry and Molecular Pharmacology, University of Massachusetts Medical School, Worcester, Massachusetts 01605, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference100 articles.

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