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24 Jul 2006 | Tools | Contributor(s): Eric Darve, Artit Wangperawong, Kazutora Hayashida
Study hydrophobicity and how Lennard Jones particles cluster in a polar solvent
Vector Free Energy Calculation with Adaptive Biasing Force
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18 Jun 2006 | Online Presentations | Contributor(s): Eric F Darve
This presentation discusses recent numerical methods to calculate thefree energy as a function of a reaction coordinate for bio-molecules.Free energy is often called potential of mean force and represents theeffective potential experienced by a generalized coordinate for abio-molecular system....
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