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Biological and Medicinal Chemistry

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Jens Glaser

3 results in Authors: Jens Glaser

Biological and Medicinal Chemistry

tinyIFD: A High-throughput Binding Pose Refinement Workflow Through Induced-fit Ligand Docking

Darren J. Hsu, Russell B. Davidson, Jens Glaser

Version 1 posted 13 December 2022

299

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Theoretical and Computational Chemistry

Adaptive Language Model Training for Molecular Design

Andrew Blanchard, Debsindhu Bhowmik, Zachary Fox, John Gounley, Jens Glaser, Belinda S Akpa, Stephan Irle

Version 3 posted 12 April 2023

592

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Biological and Medicinal Chemistry

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

Atanu Acharya, Rupesh Agarwal, Matthew Baker, Jerome Baudry, Debsindhu Bhowmik, Swen Boehm, Kendall Byler, Leighton Coates, Sam Yen-Chi Chen, Connor J. Cooper, Omar Demerdash, Isabella Daidone, John Eblen, Sally R. Ellingson, Stefano Forli, Jens Glaser, James C. Gumbart, John Gunnels, Oscar Hernandez, Stephan Irle, Jeffery 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 Rogers, Diogo Santos-Martins, Aaron Scheinberg, Ada Sedova, Shawn Shen, Jeremy C. Smith, Micholas Smith, Carlos Soto, Aristides Tsaris, Mathialakan Thavappiragasam, Andreas F. Tillack, Josh V Vermaas, Van Quan Vuong, Junqi Yin, Shinjae Yoo, Mai Zahran, Laura Zanetti-Polzi

Version 1 posted 29 July 2020

1,316

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1

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