Prediction of hydration free energies for aliphatic and aromatic chloro derivatives using molecular dynamics simulations with the OPLS-AA force field

Oliver Beckstein, Bogdan I. Iorga

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

24 Scopus citations

Fingerprint

Dive into the research topics of 'Prediction of hydration free energies for aliphatic and aromatic chloro derivatives using molecular dynamics simulations with the OPLS-AA force field'. Together they form a unique fingerprint.

Physics & Astronomy

Engineering & Materials Science

Medicine & Life Sciences

Chemical Compounds