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Mohammad Muneeb Sultan
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MSMBuilder: statistical models for biomolecular dynamics
MP Harrigan, MM Sultan, CX Hernández, BE Husic, P Eastman, ...
Biophysical journal 112 (1), 10-15, 2017
2072017
Allosteric pathways in imidazole glycerol phosphate synthase
I Rivalta, MM Sultan, NS Lee, GA Manley, JP Loria, VS Batista
Proceedings of the National Academy of Sciences 109 (22), E1428-E1436, 2012
1822012
Variational encoding of complex dynamics
CX Hernández, HK Wayment-Steele, MM Sultan, BE Husic, VS Pande
Physical Review E 97 (6), 062412, 2018
1332018
tICA-metadynamics: accelerating metadynamics by using kinetically selected collective variables
M M. Sultan, VS Pande
Journal of chemical theory and computation 13 (6), 2440-2447, 2017
1062017
Transferable neural networks for enhanced sampling of protein dynamics
MM Sultan, HK Wayment-Steele, VS Pande
Journal of chemical theory and computation 14 (4), 1887-1894, 2018
792018
Automated design of collective variables using supervised machine learning
MM Sultan, VS Pande
The Journal of chemical physics 149 (9), 094106, 2018
782018
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
672016
Millisecond dynamics of BTK reveal kinome-wide conformational plasticity within the apo kinase domain
MM Sultan, RA Denny, R Unwalla, F Lovering, VS Pande
Nature Scientific reports 7, 2017
462017
Electrostatic effects on proton coupled electron transfer in oxomanganese complexes inspired by the oxygen-evolving complex of photosystem II
M Amin, L Vogt, S Vassiliev, I Rivalta, MM Sultan, D Bruce, GW Brudvig, ...
The Journal of Physical Chemistry B 117 (20), 6217-6226, 2013
422013
Towards simple kinetic models of functional dynamics for a kinase subfamily
MM Sultan, G Kiss, VS Pande
Nature chemistry 10 (9), 903-909, 2018
412018
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
402016
Using deep learning for segmentation and counting within microscopy data
CX Hernández, MM Sultan, VS Pande
arXiv preprint arXiv:1802.10548, 2018
272018
Understanding protein dynamics with L1-regularized reversible hidden Markov models
R McGibbon, B Ramsundar, M Sultan, G Kiss, V Pande
International Conference on Machine Learning, 1197-1205, 2014
252014
Automatic selection of order parameters in the analysis of large scale molecular dynamics simulations
MM Sultan, G Kiss, D Shukla, VS Pande
Journal of chemical theory and computation 10 (12), 5217-5223, 2014
232014
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
222018
Transfer learning from Markov models leads to efficient sampling of related systems
MM Sultan, VS Pande
The Journal of Physical Chemistry B 122 (21), 5291-5299, 2017
182017
MSMExplorer: data visualizations for biomolecular dynamics
CX Hernández, MP Harrigan, MM Sultan, VS Pande
Journal of Open Source Software 2 (12), 188, 2017
152017
On the Efficient Analysis and Sampling of Mutant Free Energy Landscapes
MM Sultan
Stanford University, 2018
12018
Abstract IA-10: Machine learning enabled analysis of high content imaging datasets: Progress and prospects
MM Sultan
Clinical Cancer Research 27 (5_Supplement), IA-10-IA-10, 2021
2021
Constructing interpretable computational models of protein dynamics using information theory and variance minimization
B Husic, K McKiernan, H Wayment-Steele, M Sultan, V Pande
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
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