Automated force field optimisation of small molecules using...

Molecular Simulation 2010 / 12 Vol. 36; Iss. 14

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

Hülsmann, Marco, Müller, Thomas J., Ködderman, Thorsten, Reith, Dirk
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Volume:
36
Language:
english
Journal:
Molecular Simulation
DOI:
10.1080/08927022.2010.513974
Date:
December, 2010
File:
PDF, 288 KB
english, 2010
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