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

Miao, Yinglong
; 
Chang, Chia-En A.
; 
Zhu, Weiliang
; 
McCammon, J. Andrew
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Date
2023-01-17
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Frontiers Media
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Molecular Biosciences Scholarly Works
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Keywords
Ligand binding, Thermodynamics, Kinetics, Molecular docking, Molecular dynamics, Brownian dynamics, Machine learning, Mechanisms
Citation
Miao, Y., Chang, C. A., Zhu, W., & McCammon, J. A. (2023). Editorial: Mechanisms, thermodynamics and kinetics of ligand binding revealed from molecular simulations and machine learning. Frontiers in molecular biosciences, 10, 1139471. https://doi.org/10.3389/fmolb.2023.1139471
URI
https://hdl.handle.net/1808/34040
DOI
10.3389/fmolb.2023.1139471
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