Development of a Robust Indirect Approach for MM → QM Free Energy Calculations That Combines Force-Matched Reference Potential and Bennett's Acceptance Ratio Methods

Timothy J. Giese, Darrin M. York

Research output: Contribution to journal › Article › peer-review

58 Scopus citations

Fingerprint

Dive into the research topics of 'Development of a Robust Indirect Approach for MM → QM Free Energy Calculations That Combines Force-Matched Reference Potential and Bennett's Acceptance Ratio Methods'. Together they form a unique fingerprint.

Keyphrases

Biochemistry, Genetics and Molecular Biology

Engineering

Chemistry

Pharmacology, Toxicology and Pharmaceutical Science