MDTraj: a modern, open library for the analysis of molecular dynamics trajectories RT McGibbon, KA Beauchamp, MP Harrigan, C Klein, JM Swails, ... Biophysical Journal 109, 1528-1532, 2015 | 1834 | 2015 |
MSMBuilder: statistical models for biomolecular dynamics MP Harrigan, MM Sultan, CX Hernández, BE Husic, P Eastman, ... Biophysical journal 112 (1), 10-15, 2017 | 264 | 2017 |
Markov state models provide insights into dynamic modulation of protein function D Shukla, CX Hernández, JK Weber, VS Pande Accounts of chemical research 48 (2), 414-422, 2015 | 259 | 2015 |
Variational encoding of complex dynamics CX Hernández, HK Wayment-Steele, MM Sultan, BE Husic, VS Pande Physical Review E 97 (6), 062412, 2018 | 178 | 2018 |
Osprey: Hyperparameter Optimization for Machine Learning RT McGibbon, CX Hernández, MP Harrigan, S Kearnes, MM Sultan, ... The Journal of Open Source Software 1, 2016 | 44 | 2016 |
Using Deep Learning for Segmentation and Counting within Microscopy Data CX Hernández, MM Sultan, VS Pande arXiv preprint arXiv:1802.10548, 2018 | 40 | 2018 |
ParmEd J Swails, C Hernandez, DL Mobley, H Nguyen, LP Wang, P Janowski URL: https://github. com/ParmEd/ParmEd, 2010 | 25 | 2010 |
MDEntropy: Information-theoretic analyses for molecular dynamics CX Hernández, VS Pande Journal of Open Source Software 2 (19), 427, 2017 | 16 | 2017 |
MSMExplorer: Data Visualizations for Biomolecular Dynamics CX Hernández, MP Harrigan, MM Sultan, VS Pande The Journal of Open Source Software 2 (12), 2017 | 15 | 2017 |
Structure‐based network analysis of an evolved g‐protein coupled receptor homodimer interface SE Nichols, CX Hernández, Y Wang, JA McCammon Protein Science, 2013 | 12 | 2013 |
Kinetic Machine Learning Unravels Ligand-Directed Conformational Change of μ Opioid Receptor EN Feinberg, AB Farimani, CX Hernández, VS Pande bioRxiv, 2017 | 10 | 2017 |
Understanding the origins of a pandemic virus CX Hernández, J Chan, H Khiabanian, R Rabadan arXiv preprint arXiv:1104.4568, 2011 | 4 | 2011 |
A generic noninvasive neuromotor interface for human-computer interaction Ctrl-labs at Reality Labs, D Sussillo, P Kaifosh, T Reardon bioRxiv, 2024.02. 23.581779, 2024 | 3 | 2024 |
Modelling intrinsically disordered protein dynamics as networks of transient secondary structure HK Wayment-Steele, CX Hernández, VS Pande bioRxiv, 377564, 2018 | 3 | 2018 |
Towards a Deeper Understanding of Molecular Mechanics CX Hernández Stanford University, 2018 | | 2018 |