All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

Journal of Physical Chemistry B - Tập 102 Số 18 - Trang 3586-3616 - 1998
Alexander D. MacKerell1, Donald Bashford1, M. Bellott1, Roland L. Dunbrack1, Jeffrey D. Evanseck1, Martin J. Field1, Stefan Fischer1, Jun Gao1, Hong Guo1, Sookhee Ha1, Diane Joseph‐McCarthy1, L. Kuchnir1, Krzysztof Kuczera1, Frankie Tat Kwong Lau1, Carla Mattos1, Stephen W. Michnick1, Thuy T. M. Ngo1, Dzung T. Nguyen1, B Prod'hom1, W. E. Reiher1, Benoı̂t Roux1, Michael Schlenkrich1, Jeremy C. Smith1, Roland H. Stote1, John E. Straub1, Masakatsu Watanabe1, Joanna Wiórkiewicz-Kuczera1, Tyler Yin1, Martin Karplus1
1Department of Chemistry & Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, Department of Pharmaceutical Sciences, University of Maryland, School of Pharmacy, Baltimore, Maryland 21201, and Laboratoire de Chimie Biophysique, ISIS, Institut Le Bel, Université Louis Pasteur, 67000 Strasbourg, France

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Từ khóa


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The parameters may be obtained also from A.D.M.'s Web page at www.pharmacy.ab.umd.edu/∼alex.