Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors 论文

2013Journal of Chemical Theory and Computation引用 221
Protein Structure and DynamicsRNA and protein synthesis mechanismsComputational Drug Discovery Methods

Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors · 相关技术