COMP 272-New methods for efficient direct calculation of drug binding free energies
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作者:
Shirts, Michael R.
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Columbia Univ, Dept Chem, New York, NY 10027 USAColumbia Univ, Dept Chem, New York, NY 10027 USA
Shirts, Michael R.
[1
]
Chodera, John D.
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Stanford Univ, Dept Chem, Clark Ctr, Stanford, CA 94305 USAColumbia Univ, Dept Chem, New York, NY 10027 USA
Chodera, John D.
[2
]
Friesner, Richard A.
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机构:
Columbia Univ, Dept Chem, New York, NY 10027 USA
Columbia Univ, Ctr Biomol Simulat, New York, NY 10027 USAColumbia Univ, Dept Chem, New York, NY 10027 USA
Friesner, Richard A.
[1
,3
]
机构:
[1] Columbia Univ, Dept Chem, New York, NY 10027 USA
[2] Stanford Univ, Dept Chem, Clark Ctr, Stanford, CA 94305 USA
[3] Columbia Univ, Ctr Biomol Simulat, New York, NY 10027 USA
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ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
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2007年
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234卷