Mohammad Muneeb Sultan
Title
Cited by
Cited by
Year
MSMBuilder: statistical models for biomolecular dynamics
MP Harrigan, MM Sultan, CX Hernández, BE Husic, P Eastman, ...
Biophysical journal 112 (1), 10-15, 2017
1762017
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
1652012
Variational encoding of complex dynamics
CX Hernández, HK Wayment-Steele, MM Sultan, BE Husic, VS Pande
Physical Review E 97 (6), 062412, 2018
1042018
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
882017
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
632018
Automated design of collective variables using supervised machine learning
MM Sultan, VS Pande
The Journal of chemical physics 149 (9), 094106, 2018
612018
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
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
422017
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
392013
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
Towards simple kinetic models of functional dynamics for a kinase subfamily
MM Sultan, G Kiss, VS Pande
Nature chemistry 10 (9), 903-909, 2018
332018
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
262014
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
Using deep learning for segmentation and counting within microscopy data
CX Hernández, MM Sultan, VS Pande
arXiv preprint arXiv:1802.10548, 2018
212018
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
202014
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
162017
MSMExplorer: data visualizations for biomolecular dynamics
CX Hernández, MP Harrigan, MM Sultan, VS Pande
Journal of Open Source Software 2 (12), 188, 2017
132017
On the Efficient Analysis and Sampling of Mutant Free Energy Landscapes
MM Sultan
Stanford University, 2018
12018
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
Lessons from 8 Milliseconds of Aggregated Kinase Molecular Dynamics Simulations
MM Sultan, V Pande
Biophysical Journal 114 (3), 233a, 2018
2018
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Articles 1–20