The input file and benchmark test results of combined structure free energy perturbation (CS-FEP)
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资源简介：
The topological and coordinate files, the MD simulation control file and benchmark test results for the CS-FEP calculation, including the targets of bace, CDK2, jnk1, MCL1, p38, ptp1b, thrombin and tyk2.
创建时间：
2022-12-15
