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Brooke Husic - Publications

Affiliations: 
Freie Universität Berlin, Berlin, Germany 
Area:
chemistry, biophysics
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23 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Majewski M, Pérez A, Thölke P, Doerr S, Charron NE, Giorgino T, Husic BE, Clementi C, Noé F, De Fabritiis G. Machine learning coarse-grained potentials of protein thermodynamics. Nature Communications. 14: 5739. PMID 37714883 DOI: 10.1038/s41467-023-41343-1  0.6
2021 Chen Y, Krämer A, Charron NE, Husic BE, Clementi C, Noé F. Machine learning implicit solvation for molecular dynamics. The Journal of Chemical Physics. 155: 084101. PMID 34470360 DOI: 10.1063/5.0059915  0.621
2021 Glielmo A, Husic BE, Rodriguez A, Clementi C, Noé F, Laio A. Unsupervised Learning Methods for Molecular Simulation Data. Chemical Reviews. PMID 33945269 DOI: 10.1021/acs.chemrev.0c01195  0.554
2021 Wang J, Charron N, Husic B, Olsson S, Noé F, Clementi C. Multi-body effects in a coarse-grained protein force field. The Journal of Chemical Physics. 154: 164113. PMID 33940848 DOI: 10.1063/5.0041022  0.64
2020 Husic BE, Charron NE, Lemm D, Wang J, Pérez A, Majewski M, Krämer A, Chen Y, Olsson S, de Fabritiis G, Noé F, Clementi C. Coarse graining molecular dynamics with graph neural networks. The Journal of Chemical Physics. 153: 194101. PMID 33218238 DOI: 10.1063/5.0026133  0.651
2019 Klus S, Husic BE, Mollenhauer M, Noé F. Kernel methods for detecting coherent structures in dynamical data. Chaos (Woodbury, N.Y.). 29: 123112. PMID 31893642 DOI: 10.1063/1.5100267  0.566
2019 Scherer MK, Husic BE, Hoffmann M, Paul F, Wu H, Noé F. Variational selection of features for molecular kinetics. The Journal of Chemical Physics. 150: 194108. PMID 31117766 DOI: 10.1063/1.5083040  0.609
2019 Wehmeyer C, Scherer MK, Hempel T, Husic BE, Olsson S, Noé F. Introduction to Markov state modeling with the PyEMMA software [Article v1.0] Living Journal of Computational Molecular Science. 1. DOI: 10.33011/livecoms.1.1.5965  0.523
2019 Husic BE, Noé F. Deflation reveals dynamical structure in nondominant reaction coordinates The Journal of Chemical Physics. 151: 054103. DOI: 10.1063/1.5099194  0.608
2019 Röder K, Joseph JA, Husic BE, Wales DJ. Energy Landscapes for Proteins: From Single Funnels to Multifunctional Systems Advanced Theory and Simulations. 2: 1800175. DOI: 10.1002/ADTS.201800175  0.384
2018 Feinberg EN, Sur D, Wu Z, Husic BE, Mai H, Li Y, Sun S, Yang J, Ramsundar B, Pande VS. PotentialNet for Molecular Property Prediction. Acs Central Science. 4: 1520-1530. PMID 30555904 DOI: 10.1021/Acscentsci.8B00507  0.506
2018 Hernández CX, Wayment-Steele HK, Sultan MM, Husic BE, Pande VS. Variational encoding of complex dynamics. Physical Review. E. 97: 062412. PMID 30011547 DOI: 10.1103/Physreve.97.062412  0.684
2018 Husic BE, Pande VS. Markov State Models: From an Art to a Science. Journal of the American Chemical Society. PMID 29323881 DOI: 10.1021/Jacs.7B12191  0.568
2018 Wayment-Steele HK, Hernandez CX, Husic BE, Pande VS. Hierarchical Clustering of Markov State Models Reveals Sequence Effects in p53-CTD Dynamic Behavior Biophysical Journal. 114: 561a. DOI: 10.1016/J.Bpj.2017.11.3066  0.63
2018 Husic BE, McKiernan KA, Pande VS. Understanding how Beta-Hairpins Fold using Molecular Dynamics Simulations in Multiple Force Fields Biophysical Journal. 114: 208a-209a. DOI: 10.1016/J.Bpj.2017.11.1167  0.478
2017 Husic BE, McKiernan KA, Wayment-Steele HK, Sultan MM, Pande VS. A minimum variance clustering approach produces robust and interpretable coarse-grained models. Journal of Chemical Theory and Computation. PMID 29253336 DOI: 10.1021/Acs.Jctc.7B01004  0.6
2017 Husic BE, Pande VS. Note: MSM lag time cannot be used for variational model selection. The Journal of Chemical Physics. 147: 176101. PMID 29117698 DOI: 10.1063/1.5002086  0.503
2017 McKiernan KA, Husic BE, Pande VS. Modeling the mechanism of CLN025 beta-hairpin formation. The Journal of Chemical Physics. 147: 104107. PMID 28915754 DOI: 10.1063/1.4993207  0.477
2017 Husic BE, Pande VS. Ward clustering improves cross-validated Markov state models of protein folding. Journal of Chemical Theory and Computation. PMID 28195713 DOI: 10.1021/Acs.Jctc.6B01238  0.474
2017 McGibbon RT, Husic BE, Pande VS. Identification of simple reaction coordinates from complex dynamics. The Journal of Chemical Physics. 146: 044109. PMID 28147508 DOI: 10.1063/1.4974306  0.503
2017 Harrigan MP, Sultan MM, Hernández CX, Husic BE, Eastman P, Schwantes CR, Beauchamp KA, McGibbon RT, Pande VS. MSMBuilder: Statistical Models for Biomolecular Dynamics. Biophysical Journal. 112: 10-15. PMID 28076801 DOI: 10.1016/J.Bpj.2016.10.042  0.693
2016 Husic BE, McGibbon RT, Sultan MM, Pande VS. Optimized parameter selection reveals trends in Markov state models for protein folding. The Journal of Chemical Physics. 145: 194103. PMID 27875868 DOI: 10.1063/1.4967809  0.593
2016 Husic BE, Schebarchov D, Wales DJ. Impurity effects on solid-solid transitions in atomic clusters. Nanoscale. PMID 27775141 DOI: 10.1039/C6Nr06299G  0.47
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