Brooke E. Husic
Title
Cited by
Cited by
Year
Markov state models: From an art to a science
BE Husic, VS Pande
Journal of the American Chemical Society 140 (7), 2386-2396, 2018
3472018
MSMBuilder: statistical models for biomolecular dynamics
MP Harrigan, MM Sultan, CX Hernández, BE Husic, P Eastman, ...
Biophysical journal 112 (1), 10-15, 2017
1772017
PotentialNet for molecular property prediction
EN Feinberg, D Sur, Z Wu, BE Husic, H Mai, Y Li, S Sun, J Yang, ...
ACS central science 4 (11), 1520-1530, 2018
1522018
Variational encoding of complex dynamics
CX Hernández, HK Wayment-Steele, MM Sultan, BE Husic, VS Pande
Physical Review E 97 (6), 062412, 2018
1052018
Identification of simple reaction coordinates from complex dynamics
RT McGibbon, BE Husic, VS Pande
The Journal of Chemical Physics 146 (4), 044109, 2017
692017
Optimized parameter selection reveals trends in Markov state models for protein folding
BE Husic, RT McGibbon, MM Sultan, VS Pande
The Journal of chemical physics 145 (19), 194103, 2016
542016
Ward clustering improves cross-validated Markov state models of protein folding
BE Husic, VS Pande
Journal of chemical theory and computation 13 (3), 963-967, 2017
382017
Osprey: Hyperparameter optimization for machine learning
RT McGibbon, CX Hernández, MP Harrigan, S Kearnes, MM Sultan, ...
Journal of Open Source Software 1 (5), 34, 2016
372016
Energy Landscapes for Proteins: From Single Funnels to Multifunctional Systems
K Röder, JA Joseph, BE Husic, DJ Wales
Advanced Theory and Simulations, 1800175, 2019
302019
Variational selection of features for molecular kinetics
MK Scherer, BE Husic, M Hoffmann, F Paul, H Wu, F Noé
The Journal of chemical physics 150 (19), 194108, 2019
282019
Coarse graining molecular dynamics with graph neural networks
BE Husic, NE Charron, D Lemm, J Wang, A Pérez, M Majewski, A Krämer, ...
The Journal of Chemical Physics 153 (19), 194101, 2020
262020
A minimum variance clustering approach produces robust and interpretable coarse-grained models
BE Husic, KA McKiernan, HK Wayment-Steele, MM Sultan, VS Pande
Journal of chemical theory and computation 14 (2), 1071-1082, 2018
232018
Modeling the mechanism of CLN025 beta-hairpin formation
KA McKiernan, BE Husic, VS Pande
The Journal of chemical physics 147 (10), 104107, 2017
232017
Note: MSM lag time cannot be used for variational model selection
BE Husic, VS Pande
The Journal of chemical physics 147 (17), 176101, 2017
202017
Impurity effects on solid–solid transitions in atomic clusters
BE Husic, D Schebarchov, DJ Wales
Nanoscale 8 (43), 18326-18340, 2016
162016
Kernel methods for detecting coherent structures in dynamical data
S Klus, BE Husic, M Mollenhauer, F Noé
Chaos: An Interdisciplinary Journal of Nonlinear Science 29 (12), 123112, 2019
122019
Simultaneous coherent structure coloring facilitates interpretable clustering of scientific data by amplifying dissimilarity
BE Husic, KL Schlueter-Kuck, JO Dabiri
Plos one 14 (3), e0212442, 2019
12*2019
Unsupervised Learning Methods for Molecular Simulation Data
A Glielmo, BE Husic, A Rodriguez, C Clementi, F Noé, A Laio
Chemical Reviews, 2021
92021
Deflation reveals dynamical structure in nondominant reaction coordinates
BE Husic, F Noé
The Journal of Chemical Physics 151 (5), 054103, 2019
82019
Unsupervised learning of dynamical and molecular similarity using variance minimization
BE Husic, VS Pande
arXiv preprint arXiv:1712.07704, 2017
62017
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Articles 1–20