Specific interactions and binding free energies between thermolysin and dipeptides: Molecular simulations combined with ::::Ab initio:::: molecular orbital and classical vibrational analysis - researchr publication authors

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Kenichi Dedachi, Tatsuya Hirakawa, Seiya Fujita, Mahmud Tareq Hassan Khan, Ingebrigt Sylte, Noriyuki Kurita. Specific interactions and binding free energies between thermolysin and dipeptides: Molecular simulations combined with ::::Ab initio:::: molecular orbital and classical vibrational analysis. Journal of Computational Chemistry, 32(14):3047-3057, 2011. [doi]

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