Applying Physics-Based Scoring to Calculate Free Energies of Binding for Single Amino Acid Mutations in Protein-Protein Complexes

Open Access

Peer-reviewed

Research Article

Hege Beard,

Affiliation Schrödinger, New York, New York, United States of America
⨯
Anuradha Cholleti,

Affiliation Schrödinger, Hyderabad, Andhra Pradesh, India
⨯
David Pearlman ,

* E-mail: david.pearlman@schrodinger.com (DP); woody.sherman@schrodinger.com (WS); kathryn_armstrong@alum.mit.edu (KL)

Affiliation Schrödinger, New York, New York, United States of America
⨯
Woody Sherman ,

* E-mail: david.pearlman@schrodinger.com (DP); woody.sherman@schrodinger.com (WS); kathryn_armstrong@alum.mit.edu (KL)

Affiliation Schrödinger, New York, New York, United States of America
⨯
Kathryn A. Loving

* E-mail: david.pearlman@schrodinger.com (DP); woody.sherman@schrodinger.com (WS); kathryn_armstrong@alum.mit.edu (KL)

Affiliation Schrödinger, New York, New York, United States of America
⨯

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Hydrogen bonding
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Crystal structure
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Free energy
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Mutation detection
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Protein structure
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Mutation databases
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Forecasting
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Protein structure prediction
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