Payel Das 
contact information
Research Staff Member and Manager, AI ScienceThomas J. Watson Research Center, Yorktown Heights, NY USA +1
9149452373
9149452373 links
Professional Associations
Professional Associations: American Association for the Advancement of Science (AAAS) | IEEE | New York Academy of Sciencemore information
More information: Projects2022
2018
Explanations based on the Missing: Towards Contrastive Explanations with Pertinent Negatives
Amit Dhurandhar, Pin-Yu Chen, Ronny Luss, Chun-Chen Tu, Paishun Ting, Karthikeyan Shanmugam, Payel Das
NeurIPS, 2018
Amit Dhurandhar, Pin-Yu Chen, Ronny Luss, Chun-Chen Tu, Paishun Ting, Karthikeyan Shanmugam, Payel Das
NeurIPS, 2018
2017
The Underlying Brain Functional Landscape of an Individual as revealed by Graph Embedding
Hongyuan You, Adam Liska, Vinay Shahidhar, Payel Das
NIPS Big Neuro Workshop, 2017
Hongyuan You, Adam Liska, Vinay Shahidhar, Payel Das
NIPS Big Neuro Workshop, 2017
Autism Classification Using Brain Functional Connectivity Dynamics and Machine Learning
Ravi Tejwani, Adam Liska, Hongyuan You, Jenna Reinen, Payel Das
NIPS Big Neuro Workshop, 2017
Ravi Tejwani, Adam Liska, Hongyuan You, Jenna Reinen, Payel Das
NIPS Big Neuro Workshop, 2017
Emergence of Alternative Structures in Amyloid Beta 1-42 Monomeric Landscape by N-terminal Hexapeptide Amyloid Inhibitors
Chakraborty, Srirupa and Das, Payel
Scientific reports 7(1), 9941, Nature Publishing Group, 2017
Abstract
Chakraborty, Srirupa and Das, Payel
Scientific reports 7(1), 9941, Nature Publishing Group, 2017
Abstract
Neurology-as-a-Service for the Developing World
Dharamsi, Tejas and Das, Payel and Pedapati, Tejaswini and Bramble, Gregory and Muthusamy, Vinod and Samulowitz, Horst and Rajamanickam, Kush R Varshney and Thomas, John and Dauwels, Justin and others
arXiv preprint arXiv:1711.06195, 2017
Abstract
Dharamsi, Tejas and Das, Payel and Pedapati, Tejaswini and Bramble, Gregory and Muthusamy, Vinod and Samulowitz, Horst and Rajamanickam, Kush R Varshney and Thomas, John and Dauwels, Justin and others
arXiv preprint arXiv:1711.06195, 2017
Abstract
Emerging $\beta$-sheet rich conformations in super-compact Huntingtin exon-1 mutant structures
Kang, Hongsuk and V{\'a}zquez, Francisco X and Zhang, Leili and Das, Payel and Toledo-Sherman, Leticia Marisel and Luan, Binquan and Levitt, Michael and Zhou, Ruhong
Journal of the American Chemical Society, ACS Publications, 2017
Abstract
Kang, Hongsuk and V{\'a}zquez, Francisco X and Zhang, Leili and Das, Payel and Toledo-Sherman, Leticia Marisel and Luan, Binquan and Levitt, Michael and Zhou, Ruhong
Journal of the American Chemical Society, ACS Publications, 2017
Abstract
Automated Brain State Identification Using Graph Embedding Techniques
You, H., Liska, A., Russel, N., Das, P.
Proceedings of IEEE Int. Workshop Pattern Recognition in Neuroimaging (PRNI) , accepted, 2017
You, H., Liska, A., Russel, N., Das, P.
Proceedings of IEEE Int. Workshop Pattern Recognition in Neuroimaging (PRNI) , accepted, 2017
Interplay between Conformational Heterogeneity and Hydration in the Folding Landscape of a Designed Three-Helix Bundle
Custer, G., Das, P.*, Matysiak, S.*.
J Phys Chem B121, 2731-2738, 2017
Custer, G., Das, P.*, Matysiak, S.*.
J Phys Chem B121, 2731-2738, 2017
Relationship between static and dynamic brain functional connectivity in autism spectrum disorders
Liska, A., You, H., Das, P.
International Society for Magnetic Resonance in Medicine (ISMRM) 25th Annual Meeting , 2017
Liska, A., You, H., Das, P.
International Society for Magnetic Resonance in Medicine (ISMRM) 25th Annual Meeting , 2017
2016
Alzheimer's Protective Cross-interaction Between Wild-type and A2T Variants Alters Aÿ²42 Dimer Structure
Das P*, Chacko A, Belfort G
ACS Chemical Neuroscience, 2016
Das P*, Chacko A, Belfort G
ACS Chemical Neuroscience, 2016
A2T and A2V Aÿ² Peptides Exhibit Different Aggregation Kinetics, Primary Nucleation, Morphology, Structure and LTP Inhibition
Murray B, Sorci M, Rosenthal J, Lippens J, Isaacson D, Das P, Fabris D, Li S, Belfort G.
Proteins84, 488-500, 2016
Murray B, Sorci M, Rosenthal J, Lippens J, Isaacson D, Das P, Fabris D, Li S, Belfort G.
Proteins84, 488-500, 2016
2015
Mechanistic Influence of Nanometer Length-Scale Surface Chemistry on DNA Hybridization.
Das, P.* & Zafar, S.
ACS Nano, 2015
Das, P.* & Zafar, S.
ACS Nano, 2015
Alzheimer's Protective A2T Mutation Changes the Conformational Landscape of the Aÿ² 1ÿ 42 Monomer Differently Than Does the A2V Mutation
Das, P.*, Murray, B., & Belfort, G
Biophysical Journal, 2015
Das, P.*, Murray, B., & Belfort, G
Biophysical Journal, 2015
2014
Interaction of Amyloid Inhibitor Proteins with Amyloid Beta Peptides: Insight from Molecular Dynamics Simulations
Das, P.*, Kang, S-G., Temple, S., & Belfort, G.
Plos One, 2014
Das, P.*, Kang, S-G., Temple, S., & Belfort, G.
Plos One, 2014
Molecular Recognition of Metabotropic Glutamate Receptor Type 1 (mGluR1): Synergistic Understanding with Free Energy Perturbation and Linear Response ...
The Journal of ..., 2014 - ACS Publications
The Journal of ..., 2014 - ACS Publications
2013
Collapse of a Hydrophobic Polymer in a Mixture of Denaturants
Das, P.*, Xia, Z. & Zhou, R.
Langmuir, 2013
Das, P.*, Xia, Z. & Zhou, R.
Langmuir, 2013
Effects of Sequence and Solvation on the Temperature-Pressure Conformational Landscape of Proteinlike Heteropolymers
Matysiak, S. & Das, P.*
Physical Review Letters, 2013
Matysiak, S. & Das, P.*
Physical Review Letters, 2013
Interplay between Drying and Stability of a TIM Barrel Protein: A Combined Simulation-Experimental Study
P Das, D Kapoor, KT Halloran, R Zhou, CR Matthews
JACS, ACS publications, 2013
P Das, D Kapoor, KT Halloran, R Zhou, CR Matthews
JACS, ACS publications, 2013
2012
Direct Characterization of Hydrophobic Hydration during Cold and Pressure Denaturation
P Das* & S Matysiak
JPC B, ACS publications, 2012
P Das* & S Matysiak
JPC B, ACS publications, 2012
Collapse of Unfolded Proteins in a Mixture of Denaturants
Z Xia, P Das, EI Shakhnovich, R Zhou
JACS, ACS publications, 2012
Z Xia, P Das, EI Shakhnovich, R Zhou
JACS, ACS publications, 2012
Effect of cosolvents on nano-confined water: a molecular dynamics study
P Das*
nanoscale, rsc publishing, 2012
P Das*
nanoscale, rsc publishing, 2012
2011
Modeling mutations of influenza virus with IBM Blue Gene
Z Xia, P Das, T Huynh, AK Royyuru, R Zhou
IBM Journal of Research and Development, 2011
Z Xia, P Das, T Huynh, AK Royyuru, R Zhou
IBM Journal of Research and Development, 2011
Urea-Induced Drying of Hydrophobic Nanotubes: Comparison of Different Urea Models
P Xiu, Z Yang, B Zhou, P Das, H Fang, R Zhou
The Journal of Physical Chemistry B, ACS Publications, 2011
P Xiu, Z Yang, B Zhou, P Das, H Fang, R Zhou
The Journal of Physical Chemistry B, ACS Publications, 2011
Aggregation of $\gamma$-crystallins associated with human cataracts via domain swapping at the C-terminal $\beta$-strands
Payel Das, Jonathan A King, Ruhong Zhou
Proceedings of the National Academy of Sciences 108(26), 10514--10519, National Acad Sciences, 2011
Payel Das, Jonathan A King, Ruhong Zhou
Proceedings of the National Academy of Sciences 108(26), 10514--10519, National Acad Sciences, 2011
2010
Coping with Complexity: Model Reduction and Data Analysis
A N Gorban
2010 - books.google.com, Springer Verlag
A N Gorban
2010 - books.google.com, Springer Verlag
Single Mutation Effects on Conformational Change and Membrane Deformation of Influenza Hemagglutinin Fusion Peptides
J Li, P Das, R Zhou
The Journal of Physical Chemistry B, 6459--6464, ACS Publications, 2010
J Li, P Das, R Zhou
The Journal of Physical Chemistry B, 6459--6464, ACS Publications, 2010
Urea-Induced Drying of Carbon Nanotubes Suggests Existence of a Dry Globule-like Transient State During Chemical Denaturation of Proteins
P Das, R Zhou
The Journal of Physical Chemistry B 114(16), 5427--5430, ACS Publications, 2010
P Das, R Zhou
The Journal of Physical Chemistry B 114(16), 5427--5430, ACS Publications, 2010
$\beta$-strand interactions at the domain interface critical for the stability of human lens $\gamma$D-crystallin
Payel Das, Jonathan A King, Ruhong Zhou
Protein Science 19(1), 131--140, Wiley Online Library, 2010
Payel Das, Jonathan A King, Ruhong Zhou
Protein Science 19(1), 131--140, Wiley Online Library, 2010
2009
Free energy simulations reveal a double mutant avian H5N1 virus hemagglutinin with altered receptor binding specificity
P Das, J Li, A K Royyuru, R Zhou
Journal of Computational Chemistry 30(11), 1654--1663, Wiley Online Library, 2009
P Das, J Li, A K Royyuru, R Zhou
Journal of Computational Chemistry 30(11), 1654--1663, Wiley Online Library, 2009
2008
Single mutation induced h3n2 hemagglutinin antibody neutralization: a free energy perturbation study
R Zhou, P Das, A K Royyuru
J. Phys. Chem. B 112(49), 15813--15820, ACS Publications, 2008
R Zhou, P Das, A K Royyuru
J. Phys. Chem. B 112(49), 15813--15820, ACS Publications, 2008
2007
2006
Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction
P Das, M Moll, H Stamati, L E Kavraki, C Clementi
Proceedings of the National Academy of Sciences 103(26), 9885, National Acad Sciences, 2006
P Das, M Moll, H Stamati, L E Kavraki, C Clementi
Proceedings of the National Academy of Sciences 103(26), 9885, National Acad Sciences, 2006
2005
The experimental folding landscape of monomeric lactose repressor, a large two-domain protein, involves two kinetic intermediates
C J Wilson, P Das, C Clementi, K S Matthews, P Wittung-Stafshede
Proceedings of the National Academy of Sciences of the United States of America 102(41), 14563, National Acad Sciences, 2005
C J Wilson, P Das, C Clementi, K S Matthews, P Wittung-Stafshede
Proceedings of the National Academy of Sciences of the United States of America 102(41), 14563, National Acad Sciences, 2005
Characterization of the folding landscape of monomeric lactose repressor: Quantitative comparison of theory and experiment
P Das, C J Wilson, G Fossati, P Wittung-Stafshede, K S Matthews, C Clementi
Proceedings of the National Academy of Sciences of the United States of America 102(41), 14569, National Acad Sciences, 2005
P Das, C J Wilson, G Fossati, P Wittung-Stafshede, K S Matthews, C Clementi
Proceedings of the National Academy of Sciences of the United States of America 102(41), 14569, National Acad Sciences, 2005
Balancing energy and entropy: A minimalist model for the characterization of protein folding landscapes
P Das, S Matysiak, C Clementi
Proceedings of the National Academy of Sciences of the United States of America 102(29), 10141, National Acad Sciences, 2005
P Das, S Matysiak, C Clementi
Proceedings of the National Academy of Sciences of the United States of America 102(29), 10141, National Acad Sciences, 2005