Molecular Models
Non-conservative Forces
Calculating Standard Free Energy Changes
Force and Potential Energy in One Dimension
Three-Dimensional Force System
Noncovalent Attractions in Biomolecules
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Xiaoli Lu1, Jinfeng Chen1, Jing Huang1
1Institute of Biology, Westlake Institute for Advanced Study, Hangzhou 310024, China; Key Laboratory of Structural Biology of Zhejiang Province, School of Life Sciences, Westlake University, Hangzhou 310024, China; Westlake AI Therapeutics Lab, Westlake Laboratory of Life Sciences and Biomedicine, Hangzhou 310024, China.
生物分子力场的进步,包括极化和机器学习潜力,增强了药物发现的分子建模. 未来的工作重点是跨学科的方法来克服当前的挑战.
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