Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations

Tingjun Hou, Junmei Wang, Youyong Li, Wei Wang

Research output: Contribution to journalArticlepeer-review

1926 Scopus citations

Fingerprint

Dive into the research topics of 'Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations'. Together they form a unique fingerprint.

Engineering & Materials Science

Chemical Compounds

Social Sciences