Jens Glaser

According to our database, Jens Glaser authored at least 10 papers between 2015 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2023

Adaptive language model training for molecular design.

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

J. Cheminformatics, December, 2023

TwoFold: Highly accurate structure and affinity prediction for protein-ligand complexes from sequences.

Darren J. Hsu, Hao Lu, Aditya Kashi, Michael A. Matheson, John Gounley, Feiyi Wang, Wayne Joubert, Jens Glaser

Int. J. High Perform. Comput. Appl., November, 2023

tinyIFD: A High-Throughput Binding Pose Refinement Workflow Through Induced-Fit Ligand Docking.

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

J. Chem. Inf. Model., June, 2023

2022

Automating Genetic Algorithm Mutations for Molecules Using a Masked Language Model.

Andrew E. Blanchard, Mayanka Chandra Shekar, Shang Gao, John Gounley, Isaac Lyngaas, Jens Glaser, Debsindhu Bhowmik

IEEE Trans. Evol. Comput., 2022

Language models for the prediction of SARS-CoV-2 inhibitors.

Andrew E. Blanchard, John Gounley, Debsindhu Bhowmik, Mayanka Chandra Shekar, Isaac Lyngaas, Shang Gao, Junqi Yin, Aristeidis Tsaris, Feiyi Wang, Jens Glaser

Int. J. High Perform. Comput. Appl., 2022

2021

High-throughput virtual laboratory for drug discovery using massive datasets.

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

Int. J. High Perform. Comput. Appl., 2021

Supercomputing Pipelines Search for Therapeutics Against COVID-19.

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

Comput. Sci. Eng., 2021

Scaling SQL to the Supercomputer for Interactive Analysis of Simulation Data.

Jens Glaser, Felipe Aramburú, William Malpica, Benjamín Hernández, Matthew B. Baker, Rodrigo Aramburú

Proceedings of the Driving Scientific and Engineering Discoveries Through the Integration of Experiment, Big Data, and Modeling and Simulation, 2021

2020

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

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

J. Chem. Inf. Model., 2020

2015

Strong scaling of general-purpose molecular dynamics simulations on GPUs.

Jens Glaser, Trung Dac Nguyen, Joshua A. Anderson, Pak Lui, Filippo Spiga, Jaime A. Millan, David C. Morse, Sharon C. Glotzer

Comput. Phys. Commun., 2015