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J

Jens Gläser

united states department of energy (doe)

23H-index
71Paper Count
2.3KCitation Count
Published Papers 18
Publication Date
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TwoFold: Highly accurate structure and affinity prediction for protein-ligand complexes from sequences
err2023-10-30
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PREAI
errHsu, Darren J.; Lu, Hao; Kashi, Aditya; Matheson, Michael; Gounley, John; Wang, Feiyi; Joubert, Wayne; Glaser, Jens
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Adaptive language model training for molecular design
err2023-06-08
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errOAAI
errBlanchard, Andrew E.; Bhowmik, Debsindhu; Fox, Zachary; Gounley, John; Glaser, Jens; Akpa, Belinda S.; Irle, Stephan
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Language models for the prediction of SARS-CoV-2 inhibitors
err2022-10-07
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errOAAI
errBlanchard, Andrew E.; Gounley, John; Bhowmik, Debsindhu; Shekar, Mayanka Chandra; Lyngaas, Isaac; Gao, Shang; Yin, Junqi; Tsaris, Aristeidis; Wang, Feiyi; Glaser, Jens
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Automating Genetic Algorithm Mutations for Molecules Using a Masked Language Model
err2022-08-01
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errOAAI
errBlanchard, Andrew E.; Shekar, Mayanka Chandra; Gao, Shang; Gounley, John; Lyngaas, Isaac; Glaser, Jens; Bhowmik, Debsindhu
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High-throughput virtual laboratory for drug discovery using massive datasets
err2021-03-23
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PREAI
errGlaser, 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
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Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19
err2020-12-16
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errOAAI
errAcharya, 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.
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Pressure in rigid body molecular dynamics
err2020-02-01
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errOAAI
errGlaser, Jens; Zha, Xun; Anderson, Joshua A.; Glotzer, Sharon C.; Travesset, Alex
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Unified memory in HOOMD-blue improves node-level strong scaling
err2020-02-01
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errOAAI
errGlaser, Jens; Schwendeman, Peter S.; Anderson, Joshua A.; Glotzer, Sharon C.
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Supercharging enables organized assembly of synthetic biomolecules
err2019-01-14
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errOAAI
errSimon, 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.
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A parallel algorithm for implicit depletant simulations
err2015-11-12
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errOAAI
errGlaser, Jens; Karas, Andrew S.; Glotzer, Sharon C.
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Metastable orientational order of colloidal discoids
err2015-10-07
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errOAAI
errHsiao, Lilian C.; Schultz, Benjamin A.; Glaser, Jens; Engel, Michael; Szakasits, Megan E.; Glotzer, Sharon C.; Solomon, Michael J.
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Strong scaling of general-purpose molecular dynamics simulations on GPUs
err2015-07-01
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errOAAI
errGlaser, Jens; Trung Dac Nguyen; Anderson, Joshua A.; Lui, Pak; Spiga, Filippo; Millan, Jaime A.; Morse, David C.; Glotzer, Sharon C.
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Universal Phenomenology of Symmetric Diblock Copolymers near the Order-Disorder Transition
err2015-01-21
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PREAI
errMedapuram, Pavani; Glaser, Jens; Morse, David C.
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Glass transition and rheological redundancy in F-actin solutions
err2007-12-18
err111
errOAAI
errSemmrich, Christine; Storz, Tobias; Glaser, Jens; Merkel, Rudolf; Bausch, Andreas R.; Kroy, Klaus
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