Editorial: Mechanisms, thermodynamics and kinetics of ligand binding revealed from molecular simulations and machine learning

• Yinglong Miao,
• Chia-En A. Chang,
• Weiliang Zhu,
• J. Andrew McCammon

Affiliations

Yinglong Miao

Center for Computational Biology and Department of Molecular Biosciences, University of Kansas, Lawrence, KS, United States

Chia-En A. Chang

Department of Chemistry, University of California, Riverside, Riverside, CA, United States

Weiliang Zhu

Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China

J. Andrew McCammon

Departments of Chemistry & Biochemistry and Pharmacology, University of California San Diego, San Diego, San Diego, CA, United States