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biocomput:week06
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Table of Contents
课程材料
课程录像
6.1.1 增强采样
6.1.2 aMD
6.1.3 结合自由能
6.1.4 TI
6.1.5 FEP
6.1.6 TI/FEP的工作流程
6.2.1 Demo1：aMD
6.2.2 Demo2：相对结合自由能的计算
课后材料
0. Outline
1. Background
2.1.1 TI
2.1.2 FEP
2.2 Dual Topology
2.3 Interactions
2.4 Softcore Potential
2.5 Alchemical Path
biocomput/week06.1775098365.txt.gz · Last modified: 2026/04/02 02:52 by zhangyk
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