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All papers authored by Debsindhu Bhowmik

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2023 Andrew Blanchard, Debsindhu Bhowmik

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, Zachary Fox, John Gounley, Jens Glaser, Belinda S. Akpa, Stephan Irle

Adaptive Language Model Training for Molecular Design

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Zhuoran Zhao, Xiayu Shen, Shuang Chen, Jing Gu, Haun Wang, Maria F. Mojica

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, Moumita Samanta, Debsindhu Bhowmik

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, Alejandro J. Vila

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, Robert A. Bonomo, Shozeb Haider

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Gating interactions steer loop conformational changes in the active site of the L1 metallo-β-lactamase

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2022 Serena H. Chen, Kevin L. Weiss, Christopher Stanley, Debsindhu Bhowmik

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Structural characterization of an intrinsically disordered protein complex using integrated small-angle neutron scattering and computing

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Andrew E. Blanchard

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, Mayanka Chandra Shekar, Shang Gao

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, Isaac Lyngaas, Jens Glaser

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, Debsindhu Bhowmik

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Automating Genetic Algorithm Mutations for Molecules Using a Masked Language Model

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2021 Andrew E. Blanchard, John Gounley, Debsindhu Bhowmik

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, Mayanka Chandra Shekar, 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

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Ahmed Elnaggar, Michael Heinzinger, Christian Dallago, Ghalia Rehawi, Ghalia Rihawi, Yu Wang, Llion Jones, Tom Gibbs, Tamas Feher, Christoph Angerer, Martin Steinegger, Debsindhu Bhowmik

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, Burkhard Rost

ProtTrans: Towards Cracking the Language of Lifes Code Through Self-Supervised Deep Learning and High Performance Computing

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2020 Atanu Acharya

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, Rupesh Agarwal

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, Matthew B. Baker, Jerome Baudry

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, Debsindhu Bhowmik

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, Swen Boehm, Kendall G. Byler, Leighton Coates

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, Sam Yen-Chi Chen, Connor J. Cooper

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, Omar Demerdash, Isabella Daidone

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, John D. Eblen, Sally R. Ellingson, Stefano Forli

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and 37 other authors

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

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Que N. Van

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, Cesar A. López

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, Marco Tonelli

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, Ben Niu

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, Christopher B. Stanley

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, Debsindhu Bhowmik

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, Timothy H. Tran

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, Peter H. Frank

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, Simon Messing

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, Patrick Alexander

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and 14 other authors

Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membrane

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Serena H. Chen, M. Todd Young, John Gounley, Christopher Stanley, Debsindhu Bhowmik

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Distinct Structural Flexibility within SARS-CoV-2 Spike Protein Reveals Potential Therapeutic Targets

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2019 Junghoon Chae, Debsindhu Bhowmik

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, Heng Ma, Arvind Ramanathan, Chad Steed

Visual Analytics for Deep Embeddings of Large Scale Molecular Dynamics Simulations

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Hyungro Lee, Matteo Turilli, Debsindhu Bhowmik

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, Shantenu Jha, Heng Ma, Arvind Ramanathan

DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding

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Srikanth Yoginath, Maksudul Alam, Arvind Ramanathan, Debsindhu Bhowmik

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, Nouamane Laanait, Kalyan S. Perumalla

Towards Native Execution of Deep Learning on a Leadership-Class HPC System

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Raquel Romero, Mone Zaidi, Arvind Ramanathan, Tony Yuen, Debsindhu Bhowmik

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, Mehr Mathew, Lubna Bashir Munshi, Seher Javaid, Madison Bloch, Ayesha Khan, Charit Taneja, Daria Lizneva, Se-Min Kim, Alina Rahimova, Li Sun and 2 other authors

Mechanism of glucocerebrosidase activation and dysfunction in Gaucher disease unraveled by molecular dynamics and deep learning

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Suchithranga Mdc D. C. Perera, Udeep Chawla, Utsab Shrestha, Debsindhu Bhowmik

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, Andrey V. Struts, Shuo Qian, Xiang-Qiang Chu, Michael F. Brown

Structural Fluctuations in Rhodopsin Activation Revealed by Neutron Scattering

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Suchithranga Perera, Udeep Chawla, Utsab Shrestha, Debsindhu Bhowmik

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, Andrey Struts, Shuo Qian, Xiang-Qiang Chu, Michael Brown

Quasielastic and elastic neutron scattering of membrane proteins

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Heng Ma, Debsindhu Bhowmik

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, Hyungro Lee, Matteo Turilli, Michael T. Young, Shantenu Jha, Arvind Ramanathan

Deep generative model driven protein folding simulation

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Arvind Ramanathan, Debsindhu Bhowmik

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, Heng Ma, Michael Todd Young, Chris Stanley

Towards Exascale Bio-molecular Simulations with Artificial Intelligence Workflows

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Mukul Sherekar, S. Subramaniam, Sae-Won Han, Rodolfo Ghirlando, Simon Messing, Matthew Drew, Puneet Juneja, Hugh O'neill, Christopher Stanley, Debsindhu Bhowmik

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, D. Nissley, Arvind Ramanathan, W. Gillette

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, F. McCormick, D. Esposito

Biochemical and structural analysis reveals the Neurofibromin (NF1) protein forms a high-affinity dimer

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2018 Debsindhu Bhowmik

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, Panchapakesan Ganesh, Bobby G. Sumpter, Monojoy Goswami

Dynamical disparity between hydration shell water and RNA in a hydrated RNA system

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Suchithranga Mdc D. C. Perera, Udeep Chawla, Utsab R. Shrestha, Debsindhu Bhowmik

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, Andrey V. Struts, Shuo Qian

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, Xiang-Qiang Chu

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, Michael F. Brown

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Small-Angle Neutron Scattering Reveals Energy Landscape for Rhodopsin Photoactivation

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