The SAMPL4 hydration challenge: evaluation of partial charge sets with explicit-water molecular dynamics simulations

✍ Scribed by Muddana, Hari S.; Sapra, Neil V.; Fenley, Andrew T.; Gilson, Michael K.

• Book ID: 121562507
• Publisher: Springer Netherlands
• Year: 2014
• Tongue: English
• Weight: 594 KB
• Volume: 28
• Category: Article
• ISSN: 0920-654X
• DOI: 10.1007/s10822-014-9714-6