Ensembler: Enabling High-Throughput Molecular Simulations at the Superfamily Scale

Open Access

Peer-reviewed

Research Article

Daniel L. Parton,

Affiliation Computational Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America
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Patrick B. Grinaway,

Affiliation Graduate Program in Physiology, Biophysics, and Systems Biology, Weill Cornell Medical College, New York, New York, United States of America
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Sonya M. Hanson,

Affiliation Computational Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America
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Kyle A. Beauchamp,

Affiliation Computational Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America
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John D. Chodera

* E-mail: john.chodera@choderalab.org

Affiliation Computational Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America
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Biochemical simulations
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Protein structure
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Protein kinases
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Simulation and modeling
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Sequence alignment
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Biophysical simulations
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Crystal structure
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Protein structure comparison
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