Free Energy Calculations in Biological Systems. How Useful Are They in Practice?

DOI10.1007/3-540-31618-3_12zbMath1094.92005OpenAlexW119643168MaRDI QIDQ5484143

Christophe Chipot

Publication date: 24 August 2006

Published in: New Algorithms for Macromolecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/3-540-31618-3_12

zbMATH Keywords

molecular dynamics simulationsprotein foldingdrug designprotein recognition and association

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Biophysics (92C05) Applications of statistical mechanics to specific types of physical systems (82D99)

Related Items (1)

Molecular Simulation in the Canonical Ensemble and Beyond

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