Prediction of octanol-water partition coefficients for the SAMPL6- log P molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields

Shujie Fan, Bogdan I. Iorga, Oliver Beckstein

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Fingerprint Dive into the research topics of 'Prediction of octanol-water partition coefficients for the SAMPL6- log P molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields'. Together they form a unique fingerprint.

Physics & Astronomy

Chemical Compounds

Engineering & Materials Science

Medicine & Life Sciences