Automated force field optimisation of small molecules using a gradient-based workflow package

Author: Hulsmann Marco   Muller Thomas   Kodderman Thorsten   Reith Dirk  

Publisher: Taylor & Francis Ltd

ISSN: 0892-7022

Source: Molecular Simulation, Vol.36, Iss.14, 2010-12, pp. : 1182-1196

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract