Arvind Ramanathan
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Categorical dimensions of human odor descriptor space revealed by non-negative matrix factorization
JB Castro, A Ramanathan, CS Chennubhotla
PloS one 8 (9), e73289, 2013
Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19
A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ...
Journal of chemical information and modeling 60 (12), 5832-5852, 2020
Hierarchical attention networks for information extraction from cancer pathology reports
S Gao, MT Young, JX Qiu, HJ Yoon, JB Christian, PA Fearn, GD Tourassi, ...
Journal of the American Medical Informatics Association 25 (3), 321-330, 2018
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
L Casalino, AC Dommer, Z Gaieb, EP Barros, T Sztain, SH Ahn, A Trifan, ...
The International Journal of High Performance Computing Applications 35 (5 …, 2021
Evolutionarily Conserved Linkage between Enzyme Fold, Flexibility, and Catalysis
A Ramanathan, PK Agarwal
PLoS Biology 9 (11), e1001193, 2011
Protein conformational populations and functionally relevant substates
A Ramanathan, A Savol, V Burger, CS Chennubhotla, PK Agarwal
Accounts of chemical research 47 (1), 149-156, 2014
Discovering conformational sub-states relevant to protein function
A Ramanathan, AJ Savol, CJ Langmead, PK Agarwal, CS Chennubhotla
PLoS ONE 6 (1), e15827, 2011
Deep clustering of protein folding simulations
D Bhowmik, S Gao, MT Young, A Ramanathan
BMC bioinformatics 19, 47-58, 2018
Discovery of Small Molecules that Inhibit the Disordered Protein, p27Kip1
LI Iconaru, D Ban, K Bharatham, A Ramanathan, W Zhang, AA Shelat, ...
Scientific reports 5 (1), 15686, 2015
High-throughput virtual screening and validation of a SARS-CoV-2 main protease noncovalent inhibitor
A Clyde, S Galanie, DW Kneller, H Ma, Y Babuji, B Blaiszik, A Brace, ...
Journal of chemical information and modeling 62 (1), 116-128, 2021
Hierarchical convolutional attention networks for text classification
S Gao, A Ramanathan, G Tourassi
Proceedings of The Third Workshop on Representation Learning for NLP, 11-23, 2018
Accounting for conformational entropy in predicting binding free energies of protein‐protein interactions
H Kamisetty, A Ramanathan, C Bailey‐Kellogg, CJ Langmead
Proteins: Structure, Function, and Bioinformatics 79 (2), 444-462, 2011
Deepdrivemd: Deep-learning driven adaptive molecular simulations for protein folding
H Lee, M Turilli, S Jha, D Bhowmik, H Ma, A Ramanathan
2019 IEEE/ACM Third Workshop on Deep Learning on Supercomputers (DLS), 12-19, 2019
Computational identification of slow conformational fluctuations in proteins
A Ramanathan, PK Agarwal
Journal of Physical Chemistry B 113 (52), 16669–16680, 2009
Mechanism of glucocerebrosidase activation and dysfunction in Gaucher disease unraveled by molecular dynamics and deep learning
R Romero, A Ramanathan, T Yuen, D Bhowmik, M Mathew, LB Munshi, ...
Proceedings of the National Academy of Sciences 116 (11), 5086-5095, 2019
Machine learning–driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins
HI Ingólfsson, C Neale, TS Carpenter, R Shrestha, CA López, TH Tran, ...
Proceedings of the National Academy of Sciences 119 (1), e2113297119, 2022
# COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ...
The international journal of high performance computing applications 37 (1 …, 2023
Verification of Compartmental Epidemiological Models using Metamorphic Testing, Model Checking and Visual Analytics
A Ramanathan, CA Steed, LL Pullum
Classifying cancer pathology reports with hierarchical self-attention networks
S Gao, JX Qiu, M Alawad, JD Hinkle, N Schaefferkoetter, HJ Yoon, ...
Artificial intelligence in medicine 101, 101726, 2019
Biochemical and structural analyses reveal that the tumor suppressor neurofibromin (NF1) forms a high-affinity dimer
M Sherekar, SW Han, R Ghirlando, S Messing, M Drew, D Rabara, ...
Journal of Biological Chemistry 295 (4), 1105-1119, 2020
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