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ORCIDDebsindhu Bhowmik
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2020 – today
- 2024
[j11]Debsindhu Bhowmik
, Pei Zhang, Zachary R. Fox, Stephan Irle, John Gounley:
Enhancing molecular design efficiency: Uniting language models and generative networks with genetic algorithms. Patterns 5(4): 100947 (2024)- 2023
- [j10]Andrew E. Blanchard, Debsindhu Bhowmik, Zachary R. Fox, John Gounley, Jens Glaser, Belinda S. Akpa, Stephan Irle:
Adaptive language model training for molecular design. J. Cheminformatics 15(1): 59 (2023) - [j9]Pei Zhang, Logan T. Kearney, Debsindhu Bhowmik, Zachary R. Fox, Amit K. Naskar, John Gounley:
Transferring a Molecular Foundation Model for Polymer Property Predictions. J. Chem. Inf. Model. 63(24): 7689-7698 (2023) - [i3]Pei Zhang, Logan T. Kearney, Debsindhu Bhowmik, Zachary R. Fox, Amit K. Naskar, John Gounley:
Transferring a molecular foundation model for polymer property predictions. CoRR abs/2310.16958 (2023) - 2022
- [j8]Andrew E. Blanchard, John Gounley, Debsindhu Bhowmik, Mayanka Chandra Shekar, Isaac Lyngaas, Shang Gao, Junqi Yin, Aristeidis Tsaris, Feiyi Wang, Jens Glaser:
Language models for the prediction of SARS-CoV-2 inhibitors. Int. J. High Perform. Comput. Appl. 36(5-6): 587-602 (2022) - [j7]Ahmed Elnaggar, Michael Heinzinger, Christian Dallago, Ghalia Rehawi, Yu Wang, Llion Jones, Tom Gibbs, Tamas Feher, Christoph Angerer, Martin Steinegger, Debsindhu Bhowmik, Burkhard Rost:
ProtTrans: Toward Understanding the Language of Life Through Self-Supervised Learning. IEEE Trans. Pattern Anal. Mach. Intell. 44(10): 7112-7127 (2022) - [j6]Andrew E. Blanchard, Mayanka Chandra Shekar, Shang Gao, John Gounley, Isaac Lyngaas, Jens Glaser, Debsindhu Bhowmik:
Automating Genetic Algorithm Mutations for Molecules Using a Masked Language Model. IEEE Trans. Evol. Comput. 26(4): 793-799 (2022) - [c7]Andrew E. Blanchard, Pei Zhang, Debsindhu Bhowmik, Kshitij Mehta, John Gounley, Samuel Temple Reeve, Stephan Irle, Massimiliano Lupo Pasini:
Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models. SMC 2022: 3-19 - 2021
- [j5]Andrew E. Blanchard, Christopher B. Stanley, Debsindhu Bhowmik:
Using GANs with adaptive training data to search for new molecules. J. Cheminformatics 13(1): 14 (2021) - [j4]Eunice Cho, Margarida Rosa, Ruhi Anjum, Saman Mehmood, Mariya Soban, Moniza Mujtaba, Khair Bux, Syed Tarique Moin, Mohammad Tanweer, Sarath Dantu, Alessandro Pandini, Junqi Yin, Heng Ma, Arvind Ramanathan, Barira Islam, Antonia S. J. S. Mey, Debsindhu Bhowmik, Shozeb M. Haider:
Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites. J. Chem. Inf. Model. 61(6): 3058-3073 (2021) - [c6]Serena H. Chen, M. Todd Young, John Gounley, Christopher B. Stanley, Debsindhu Bhowmik:
How Distinct Structural Flexibility within SARS-CoV-2 Spike Protein Reveals Potential Therapeutic Targets. IEEE BigData 2021: 4333-4341 - [c5]Srikanth B. Yoginath, Mathieu Doucet, Debsindhu Bhowmik, David Heise, Folami Alamudun, Hong-Jun Yoon, Christopher B. Stanley:
Secure Collaborative Environment for Seamless Sharing of Scientific Knowledge. SMC 2021: 139-156 - 2020
- [j3]Atanu Acharya, Rupesh Agarwal, Matthew B. Baker, Jérôme Baudry, Debsindhu Bhowmik, Swen Böhm, Kendall G. Byler, Sam Yen-Chi Chen, Leighton Coates, Connor J. Cooper, Omar Demerdash, Isabella Daidone, John D. Eblen, Sally R. Ellingson, Stefano Forli, Jens Glaser, James C. Gumbart, John Gunnels, Oscar R. Hernandez, Stephan Irle, Daniel W. Kneller, Andrey Kovalevsky, Jeffrey M. Larkin, Travis J. Lawrence, Scott LeGrand, Shih-Hsien Liu, Julie C. Mitchell, Gilchan Park, Jerry M. Parks, Anna Pavlova, Loukas Petridis, Duncan Poole, Line Pouchard, Arvind Ramanathan, David M. Rogers, Diogo Santos-Martins, Aaron Scheinberg, Ada Sedova, Yue Shen, Jeremy C. Smith, Micholas Dean Smith, Carlos Soto, Aristides Tsaris, Mathialakan Thavappiragasam, Andreas F. Tillack, Josh Vincent Vermaas, Van Quan Vuong, Junqi Yin, Shinjae Yoo, Mai Zahran, Laura Zanetti Polzi:
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. J. Chem. Inf. Model. 60(12): 5832-5852 (2020) - [i2]Ahmed Elnaggar, Michael Heinzinger, Christian Dallago, Ghalia Rehawi, Yu Wang, Llion Jones, Tom Gibbs, Tamas Feher, Christoph Angerer, Martin Steinegger, Debsindhu Bhowmik, Burkhard Rost:
ProtTrans: Towards Cracking the Language of Life's Code Through Self-Supervised Deep Learning and High Performance Computing. CoRR abs/2007.06225 (2020)
2010 – 2019
- 2019
- [c4]Junghoon Chae, Debsindhu Bhowmik, Heng Ma, Arvind Ramanathan, Chad A. Steed:
Visual Analytics for Deep Embeddings of Large Scale Molecular Dynamics Simulations. IEEE BigData 2019: 1759-1764 - [c3]Srikanth B. Yoginath, Md. Maksudul Alam, Arvind Ramanathan, Debsindhu Bhowmik, Nouamane Laanait, Kalyan S. Perumalla:
Towards Native Execution of Deep Learning on a Leadership-Class HPC System. IPDPS Workshops 2019: 941-950 - [c2]Heng Ma, Debsindhu Bhowmik, Hyungro Lee, Matteo Turilli, Michael T. Young, Shantenu Jha, Arvind Ramanathan:
Deep Generative Model Driven Protein Folding Simulations. PARCO 2019: 45-55 - [c1]Hyungro Lee, Matteo Turilli, Shantenu Jha, Debsindhu Bhowmik, Heng Ma, Arvind Ramanathan:
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding. DLS@SC 2019: 12-19 - [i1]Hyungro Lee, Heng Ma, Matteo Turilli, Debsindhu Bhowmik, Shantenu Jha, Arvind Ramanathan:
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding. CoRR abs/1909.07817 (2019) - 2018
- [j2]Debsindhu Bhowmik, Shang Gao, Michael T. Young, Arvind Ramanathan:
Deep clustering of protein folding simulations. BMC Bioinform. 19-S(18): 47-58 (2018) - 2017
- [j1]Vickie E. Lynch, Jose M. Borreguero, Debsindhu Bhowmik, Panchapakesan Ganesh, Bobby G. Sumpter, Thomas Proffen, Monojoy Goswami:
An automated analysis workflow for optimization of force-field parameters using neutron scattering data. J. Comput. Phys. 340: 128-137 (2017) - 2011
- [b1]Debsindhu Bhowmik:
Study of microscopic dynamics of complex fluids containing charged hydrophobic species by neutron scattering coupled with molecular dynamics simulations . (Etude de la dynamique d'ions hydrophobes en solutions aqueuses par diffusion de neutrons et par simulation nume'rique). Pierre and Marie Curie University, Paris, France, 2011
Coauthor Index
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