Prediction of hydration free energies for the SAMPL4 diverse set of compounds using molecular dynamics simulations with the OPLS-AA force field

✍ Scribed by Beckstein, Oliver; Fourrier, Anaïs; Iorga, Bogdan I.

• Book ID: 121545923
• Publisher: Springer Netherlands
• Year: 2014
• Tongue: English
• Weight: 520 KB
• Volume: 28
• Category: Article
• ISSN: 0920-654X
• DOI: 10.1007/s10822-014-9727-1