Payel Das  Payel Das photo         

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Research Staff Member and Manager, AI Science
Thomas J. Watson Research Center, Yorktown Heights, NY USA


Professional Associations

Professional Associations:  American Association for the Advancement of Science (AAAS)  |  IEEE   |  New York Academy of Science

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More information:  Projects



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


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

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

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

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

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

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

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

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


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

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


Mechanistic Influence of Nanometer Length-Scale Surface Chemistry on DNA Hybridization.
Das, P.* & Zafar, S.
ACS Nano, 2015



Collapse of a Hydrophobic Polymer in a Mixture of Denaturants
Das, P.*, Xia, Z. & Zhou, R.
Langmuir, 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


Direct Characterization of Hydrophobic Hydration during Cold and Pressure Denaturation
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

Effect of cosolvents on nano-confined water: a molecular dynamics study
P Das*
nanoscale, rsc publishing, 2012


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

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

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


Coping with Complexity: Model Reduction and Data Analysis
A N Gorban
2010 -, 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

$\beta$-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


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




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


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

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

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