Author

K. A. Beauchamp

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 4

Signature Assays, Organisms & Methods

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Approach:deep learning· 2 Research Focus:software / tool· 2 Approach:statistical model· 2 Research Focus:benchmarking· 1 Research Focus:clustering· 1 Research Focus:dimensionality reduction· 1 Approach:experimental assay· 1 Research Focus:protein folding & dynamics· 1

Frequent Co-Authors

J. D. Chodera· 2 shared M. P. Harrigan· 2 shared P. Eastman· 2 shared R. P. Wiewiora· 2 shared R. T. McGibbon· 2 shared V. S. Pande· 2 shared A. C. Simmonett· 1 shared A. Ma· 1 shared

Activity by Year

2016-2018 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 27 mutual co-author links

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2 shared papersBiophysics

J. D. Chodera

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Author profile →

4 papers

Recent·Most cited

The Dynamic Conformational Landscapes of the Protein Methyltransferase SETD8

S. Chen, R. P. Wiewiora, F. Meng, N. Babault, A. Ma, W. Yu, K. Qian, H. Hu, H. Zou, J. Wang, S. Fan, G. Blum, F. Pittella-Silva, K. A. Beauchamp, W. Tempel, , M. Luo

This study reveals dynamic conformational landscapes of SETD8 using X-ray structures and molecular simulations, showing how protein dynamics influence catalysis and cancer-associated mutations.

bioRxiv · Oct 12, 2018Biophysics

Quantifying configuration-sampling error in Langevin simulations of complex molecular systems

J. Fass, D. Sivak, G. E. Crooks, K. A. Beauchamp, B. Leimkuhler, J. Chodera

The paper introduces a method to quantify configuration-space sampling errors in Langevin simulations and validates it against a Monte Carlo estimator.

bioRxiv · Apr 15, 2018Biophysics

OpenMM 7: Rapid Development of High Performance Algorithms for Molecular Dynamics

P. Eastman, J. Swails, J. D. Chodera, R. T. McGibbon, Y. Zhao, K. A. Beauchamp, L.-P. Wang, A. C. Simmonett, M. P. Harrigan, C. D. Stern, R. P. Wiewiora, B. R. Brooks, V. S. Pande

OpenMM 7 enables rapid development of high-performance molecular dynamics algorithms with extensible features that work across hardware types without modifying the core toolkit.

bioRxiv · Jun 28, 2017Biophysics

MSMBuilder: Statistical Models for Biomolecular Dynamics

M. P. Harrigan, M. M. Sultan, C. X. Hernandez, B. E. Husic, P. Eastman, C. R. Schwantes, K. A. Beauchamp, R. T. McGibbon, V. S. Pande

MSMBuilder is a software package for building statistical models of high-dimensional time-series data, particularly for biomolecular dynamics, using methods like Markov State Models and HMMs.

bioRxiv · Oct 30, 2016Biophysics