McGibbon, Robert T.

SciPy 1.0: fundamental algorithms for scientific computing in Python

Virtanen, P., Gommers, R., Oliphant, T. E., Haberland, M., Reddy, T., Cournapeau, D., Burovski, E., Peterson, P., Weckesser, W., Bright, J., et al. (2020) · Nature Methods

Computational Physics and Python ApplicationsScientific Computing and Data Management

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SciPy 1.0: fundamental algorithms for scientific computing in Python

Virtanen, P., Gommers, R., Oliphant, T. E., Haberland, M., Reddy, T., Cournapeau, D., Burovski, E., Peterson, P., Weckesser, W., Bright, J., et al. (2019) · Apollo - University of Cambridge Repository

Computational Physics and Python ApplicationsScientific Computing and Data Management

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OpenMM 7: Rapid development of high performance algorithms for molecular dynamics

Eastman, P., Swails, J., Chodera, J. D., McGibbon, R. T., Zhao, Y., Beauchamp, K. A., Wang, L.-P., Simmonett, A. C., Harrigan, M. P., Stern, C. D., et al. (2017) · PLOS Computational Biology

Parallel Computing and Optimization TechniquesProtein Structure and Dynamics

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MSMBuilder: Statistical Models for Biomolecular Dynamics

Harrigan, M. P., Sultan, M. M., Hernández, C. X., Husic, B. E., Eastman, P., Schwantes, C. R., Beauchamp, K. A., McGibbon, R. T., & Pande, V. S. (2016) · Biophysical Journal

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

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MSMBuilder: Statistical Models for Biomolecular Dynamics

Harrigan, M. P., Sultan, M. M., Hernández, C. X., Husic, B. E., Eastman, P., Schwantes, C. R., Beauchamp, K. A., McGibbon, R. T., & Pande, V. S. (2017) · Biophysical Journal

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

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Simple few-state models reveal hidden complexity in protein folding

Beauchamp, K. A., McGibbon, R., Lin, Y.-S., & Pande, V. S. (2012) · Proceedings of the National Academy of Sciences

Protein Structure and DynamicsRNA and protein synthesis mechanisms

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