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Jens Glaser
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2020 – today
- 2023
- [j9]Darren J. Hsu, Hao Lu
, Aditya Kashi
, Michael A. Matheson, John Gounley
, Feiyi Wang
, Wayne Joubert
, Jens Glaser
:
TwoFold: Highly accurate structure and affinity prediction for protein-ligand complexes from sequences. Int. J. High Perform. Comput. Appl. 37(6): 666-682 (2023) - [j8]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) - [j7]Darren J. Hsu
, Russell B. Davidson
, Ada Sedova, Jens Glaser
:
tinyIFD: A High-Throughput Binding Pose Refinement Workflow Through Induced-Fit Ligand Docking. J. Chem. Inf. Model. 63(11): 3438-3447 (2023) - 2022
- [j6]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) - [j5]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) - 2021
- [j4]Josh Vincent Vermaas
, Ada Sedova
, Matthew B. Baker
, Swen Boehm
, David M. Rogers
, Jeff Larkin
, Jens Glaser
, Micholas Dean Smith
, Oscar R. Hernandez, Jeremy C. Smith
:
Supercomputing Pipelines Search for Therapeutics Against COVID-19. Comput. Sci. Eng. 23(1): 7-16 (2021) - [j3]Jens Glaser
, Josh Vincent Vermaas
, David M. Rogers
, Jeff Larkin, Scott LeGrand, Swen Boehm, Matthew B. Baker, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Ada Sedova, Oscar R. Hernandez:
High-throughput virtual laboratory for drug discovery using massive datasets. Int. J. High Perform. Comput. Appl. 35(5) (2021) - [c1]Jens Glaser, Felipe Aramburú, William Malpica, Benjamín Hernández, Matthew B. Baker, Rodrigo Aramburú:
Scaling SQL to the Supercomputer for Interactive Analysis of Simulation Data. SMC 2021: 327-339 - 2020
- [j2]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)
2010 – 2019
- 2015
- [j1]Jens Glaser
, Trung Dac Nguyen
, Joshua A. Anderson, Pak Lui, Filippo Spiga
, Jaime A. Millan, David C. Morse
, Sharon C. Glotzer:
Strong scaling of general-purpose molecular dynamics simulations on GPUs. Comput. Phys. Commun. 192: 97-107 (2015)
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last updated on 2024-08-05 20:20 CEST by the dblp team
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