Strong scaling of general-purpose molecular dynamics simulations on GPUs J Glaser, TD Nguyen, JA Anderson, P Lui, F Spiga, JA Millan, DC Morse, ... Computer Physics Communications 192, 97-107, 2015 | 688 | 2015 |
HOOMD-blue: A Python package for high-performance molecular dynamics and hard particle Monte Carlo simulations JA Anderson, J Glaser, SC Glotzer Computational Materials Science 173, 109363, 2020 | 443 | 2020 |
Glass transition and rheological redundancy in F-actin solutions C Semmrich, T Storz, J Glaser, R Merkel, AR Bausch, K Kroy Proceedings of the National Academy of Sciences 104 (51), 20199-20203, 2007 | 170 | 2007 |
Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19 A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ... Journal of chemical information and modeling 60 (12), 5832-5852, 2020 | 162 | 2020 |
Universality of block copolymer melts J Glaser, P Medapuram, TM Beardsley, MW Matsen, DC Morse Physical review letters 113 (6), 068302, 2014 | 132 | 2014 |
The glassy wormlike chain K Kroy, J Glaser New Journal of Physics 9 (11), 416, 2007 | 121 | 2007 |
Universal phenomenology of symmetric diblock copolymers near the order–disorder transition P Medapuram, J Glaser, DC Morse Macromolecules 48 (3), 819-839, 2015 | 108 | 2015 |
Supercharging enables organized assembly of synthetic biomolecules AJ Simon, Y Zhou, V Ramasubramani, J Glaser, A Pothukuchy, J Gollihar, ... Nature chemistry 11 (3), 204-212, 2019 | 81 | 2019 |
Collective and single-chain correlations in disordered melts of symmetric diblock copolymers: Quantitative comparison of simulations and theory J Glaser, J Qin, P Medapuram, DC Morse Macromolecules 47 (2), 851-869, 2014 | 70 | 2014 |
Tube width fluctuations in F-actin solutions J Glaser, D Chakraborty, K Kroy, I Lauter, M Degawa, N Kirchgeßner, ... Physical review letters 105 (3), 037801, 2010 | 46 | 2010 |
Test of a scaling hypothesis for the structure factor of disordered diblock copolymer melts J Glaser, J Qin, P Medapuram, M Müller, DC Morse Soft Matter 8 (44), 11310-11317, 2012 | 45 | 2012 |
Metastable orientational order of colloidal discoids LC Hsiao, BA Schultz, J Glaser, M Engel, ME Szakasits, SC Glotzer, ... Nature Communications 6 (1), 8507, 2015 | 44 | 2015 |
Generalised Einstein relation for hot Brownian motion D Chakraborty, MV Gnann, D Rings, J Glaser, F Otto, F Cichos, K Kroy Europhysics Letters 96 (6), 60009, 2011 | 43 | 2011 |
High-throughput virtual laboratory for drug discovery using massive datasets J Glaser, JV Vermaas, DM Rogers, J Larkin, S LeGrand, S Boehm, ... The International Journal of High Performance Computing Applications 35 (5 …, 2021 | 41 | 2021 |
Using depletion to control colloidal crystal assemblies of hard cuboctahedra AS Karas, J Glaser, SC Glotzer Soft Matter 12 (23), 5199-5204, 2016 | 38 | 2016 |
Supercomputing pipelines search for therapeutics against covid-19 JV Vermaas, A Sedova, MB Baker, S Boehm, DM Rogers, J Larkin, ... Computing in Science & Engineering 23 (1), 7-16, 2020 | 27 | 2020 |
Pressure in rigid body molecular dynamics J Glaser, X Zha, JA Anderson, SC Glotzer, A Travesset Computational Materials Science 173, 109430, 2020 | 26 | 2020 |
Language models for the prediction of SARS-CoV-2 inhibitors AE Blanchard, J Gounley, D Bhowmik, M Chandra Shekar, I Lyngaas, ... The International Journal of High Performance Computing Applications 36 (5-6 …, 2022 | 23 | 2022 |
Dynamic structure factor of a stiff polymer in a glassy solution J Glaser, O Hallatschek, K Kroy The European Physical Journal E 26, 123-136, 2008 | 22 | 2008 |
Hit expansion of a noncovalent SARS-CoV-2 main protease inhibitor J Glaser, A Sedova, S Galanie, DW Kneller, RB Davidson, E Maradzike, ... ACS Pharmacology & Translational Science 5 (4), 255-265, 2022 | 21 | 2022 |