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 (8), 1528-1532, 2015 | 1821 | 2015 |
Skin microbes on frogs prevent morbidity and mortality caused by a lethal skin fungus RN Harris, RM Brucker, JB Walke, MH Becker, CR Schwantes, ... The ISME journal 3 (7), 818-824, 2009 | 612 | 2009 |
Improvements in Markov state model construction reveal many non-native interactions in the folding of NTL9 CR Schwantes, VS Pande Journal of chemical theory and computation 9 (4), 2000-2009, 2013 | 601 | 2013 |
Amphibian Chemical Defense: Antifungal Metabolites of the Microsymbiont Janthinobacterium lividum on the Salamander Plethodon cinereus RM Brucker, RN Harris, CR Schwantes, TN Gallaher, DC Flaherty, ... Journal of chemical ecology 34, 1422-1429, 2008 | 406 | 2008 |
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 |
The bacterially produced metabolite violacein is associated with survival of amphibians infected with a lethal fungus MH Becker, RM Brucker, CR Schwantes, RN Harris, KPC Minbiole Applied and environmental microbiology 75 (21), 6635-6638, 2009 | 246 | 2009 |
Modeling molecular kinetics with tICA and the kernel trick CR Schwantes, VS Pande Journal of chemical theory and computation 11 (2), 600-608, 2015 | 162 | 2015 |
Towards a better understanding of the use of probiotics for preventing chytridiomycosis in Panamanian golden frogs MH Becker, RN Harris, KPC Minbiole, CR Schwantes, LA Rollins-Smith, ... Ecohealth 8, 501-506, 2011 | 140 | 2011 |
Perspective: Markov models for long-timescale biomolecular dynamics CR Schwantes, RT McGibbon, VS Pande The Journal of chemical physics 141 (9), 2014 | 100 | 2014 |
Bicephalic amphiphile architecture affects antibacterial activity JE LaDow, DC Warnock, KM Hamill, KL Simmons, RW Davis, ... European journal of medicinal chemistry 46 (9), 4219-4226, 2011 | 57 | 2011 |
Complex pathways in folding of protein G explored by simulation and experiment LJ Lapidus, S Acharya, CR Schwantes, L Wu, D Shukla, M King, ... Biophysical journal 107 (4), 947-955, 2014 | 50 | 2014 |
Markov state models and tICA reveal a nonnative folding nucleus in simulations of NuG2 CR Schwantes, D Shukla, VS Pande Biophysical journal 110 (8), 1716-1719, 2016 | 43 | 2016 |
Dynamical phase transitions reveal amyloid-like states on protein folding landscapes JK Weber, RL Jack, CR Schwantes, VS Pande Biophysical journal 107 (4), 974-982, 2014 | 31 | 2014 |
Statistical model selection for Markov models of biomolecular dynamics RT McGibbon, CR Schwantes, VS Pande The Journal of Physical Chemistry B 118 (24), 6475-6481, 2014 | 31 | 2014 |
Probing the origins of two-state folding TJ Lane, CR Schwantes, KA Beauchamp, VS Pande The Journal of Chemical Physics 139 (14), 2013 | 16 | 2013 |
Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY J Shi, RP Nobrega, C Schwantes, SV Kathuria, O Bilsel, CR Matthews, ... Scientific reports 7 (1), 44116, 2017 | 15 | 2017 |
Binned kernels for anomaly detection in multi-timescale data using Gaussian processes M Adelsberg, C Schwantes KDD 2017 Workshop on Anomaly Detection in Finance, 102-113, 2018 | 4 | 2018 |
An Investigation of Inital Shock Cell Formation in Turbulent Coanda Wall Jets CP Lubert, CR Schwantes, RJ Shafer | 3 | 2016 |
MDTraj: a modern, open library for the analysis of molecular dynamics trajectories MDTraj: a modern, open library for the analysis of molecular dynamics trajectories RT Mcgibbon, KA Beauchamp, CR Schwantes, L Wang, CX Hern, ... Biorxiv. Org 109, 0-2, 2014 | 3 | 2014 |
Efficient inference of protein structural ensembles TJ Lane, CR Schwantes, KA Beauchamp, VS Pande arXiv preprint arXiv:1408.0255, 2014 | 2 | 2014 |