Jens Gläser - Publications, H-index & Citations

Jens Gläser

united states department of energy (doe)

23H指数

71论文数

2.3K被引数

收录论文 18

发表时间

Hydrogen density mapping in biomolecular crystals through dynamic nuclear polarization

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY

IF3.8

2025-12-01

PREAI

Begam, Khadiza; Morgan, Zachary; Myles, Dean A. A.; Glaser, Jens

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

INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS

IF2.5

2023-10-30

PREAI

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

Adaptive language model training for molecular design 分子设计的自适应语言模型训练

JOURNAL OF CHEMINFORMATICS

IF5.7

2023-06-08

OAAI

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

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

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-05-19

OAAI

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

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

INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS

IF2.5

2022-10-07

OAAI

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

Automating Genetic Algorithm Mutations for Molecules Using a Masked Language Model

IEEE TRANSACTIONS ON EVOLUTIONARY COMPUTATION

IF12

2022-08-01

OAAI

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

High-throughput virtual laboratory for drug discovery using massive datasets 使用海量数据集进行药物发现的高通量虚拟实验室

INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS

IF2.5

2021-03-23

PREAI

Glaser, Jens; Vermaas, Josh V.; Rogers, David M.; Larkin, Jeff; LeGrand, Scott; Boehm, Swen; Baker, Matthew B.; Scheinberg, Aaron; Tillack, Andreas F.; Thavappiragasam, Mathialakan; Sedova, Ada; Hernandez, Oscar

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

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-12-16

130

OAAI

Acharya, A.; Agarwal, R.; Baker, M. B.; Baudry, J.; Bhowmik, D.; Boehm, S.; Byler, K. G.; Chen, S. Y.; Coates, L.; Cooper, C. J.; Demerdash, O.; Daidone, I; Eblen, J. D.; Ellingson, S.; Forli, S.; Glaser, J.; Gumbart, J. C.; Gunnels, J.; Hernandez, O.; Irle, S.; Kneller, D. W.; Kovalevsky, A.; Larkin, J.; Lawrence, T. J.; LeGrand, S.; Liu, S-H; Mitchell, J. C.; Park, G.; Parks, J. M.; Pavlova, A.; Petridis, L.; Poole, D.; Pouchard, L.; Ramanathan, A.; Rogers, D. M.; Santos-Martins, D.; Scheinberg, A.; Sedova, A.; Shen, Y.; Smith, J. C.; Smith, M. D.; Soto, C.; Tsaris, A.; Thavappiragasam, M.; Tillack, A. F.; Vermaas, J. V.; Vuong, V. Q.; Yin, J.; Yoo, S.; Zahran, M.; Zanetti-Polzi, L.

HOOMD-blue: A Python package for high-performance molecular dynamics and hard particle Monte Carlo simulations Hoomd-blue: 用于高性能分子动力学和硬粒子蒙特卡罗模拟的Python软件包

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2020-02-01

418

OAAI

Anderson, Joshua A.; Glaser, Jens; Glotzer, Sharon C.

Pressure in rigid body molecular dynamics

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2020-02-01

OAAI

Glaser, Jens; Zha, Xun; Anderson, Joshua A.; Glotzer, Sharon C.; Travesset, Alex

Unified memory in HOOMD-blue improves node-level strong scaling

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2020-02-01

OAAI

Glaser, Jens; Schwendeman, Peter S.; Anderson, Joshua A.; Glotzer, Sharon C.

Supercharging enables organized assembly of synthetic biomolecules

NATURE CHEMISTRY

IF20.2

2019-01-14

OAAI

Simon, Anna J.; Zhou, Yi; Ramasubramani, Vyas; Glaser, Jens; Pothukuchy, Arti; Gollihar, Jimmy; Gerberich, Jillian C.; Leggere, Janelle C.; Morrow, Barrett R.; Jung, Cheulhee; Glotzer, Sharon C.; Taylor, David W.; Ellington, Andrew D.

A parallel algorithm for implicit depletant simulations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-11-12

OAAI

Glaser, Jens; Karas, Andrew S.; Glotzer, Sharon C.

Metastable orientational order of colloidal discoids

NATURE COMMUNICATIONS

IF15.7

2015-10-07

OAAI

Hsiao, Lilian C.; Schultz, Benjamin A.; Glaser, Jens; Engel, Michael; Szakasits, Megan E.; Glotzer, Sharon C.; Solomon, Michael J.