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====== 课程材料 ======

{{biocomput:week-06.pptx}}

====== 课程录像 ======

===== 6.1.1 增强采样 =====

{{biocomput:6.1.1-Sampling.mp4?800}}

===== 6.1.2 aMD =====

{{biocomput:6.1.2-aMD.mp4?800}}

===== 6.1.3 结合自由能 =====

{{biocomput:6.1.3-BFE.mp4?800}}

===== 6.1.4 TI =====

{{biocomput:6.1.4-TI.mp4?800}}

===== 6.1.5 FEP =====

{{biocomput:6.1.5-FEP.mp4?800}}

===== 6.1.6 TI/FEP的工作流程 =====

{{biocomput:6.1.6-Setup_of_TIorFEP.mp4?800}}

===== 6.2.1 Demo1：aMD =====

{{biocomput:6.2.1-Demo1.mp4?800}}

===== 6.2.2 Demo2：相对结合自由能的计算 =====

{{biocomput:6.2.2-Demo2.mp4?800}}

====== 课后材料 ======

===== 1. Background ===== 

{{workshop:ws-20260321-zhangyuankuan-freee_energy1-background.mp4?800}} 

===== 2.1.1 TI ===== 

{{workshop:WS-20260321-zhangyuankuan-freee_energy2.1.1-TI.mp4?800}} 

===== 2.1.2 FEP ===== 

{{workshop:WS-20260321-zhangyuankuan-freee_energy2.1.2-FEP.mp4?800}} 

===== 2.2 Dual Topology ===== 

{{workshop:WS-20260321-zhangyuankuan-freee_energy2.2-dual_topology.mp4?800}} 

===== 2.3 Interactions ===== 

{{workshop:WS-20260321-zhangyuankuan-freee_energy2.3-interactions.mp4?800}} 

===== 2.4 Softcore Potential ===== 

{{workshop:WS-20260321-zhangyuankuan-freee_energy2.4-softcore.mp4?800}} 

===== 2.5 Alchemical Path ===== 

{{workshop:WS-20260321-zhangyuankuan-freee_energy2.5-alchemical_path.mp4?800}}

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