Visual Continuity of Protein Secondary Structure Rendering: Application to SARS-CoV-2 Mpro in Virtual Reality

by Alexander D. Jamieson-Binnie, Alexander D. Jamieson-Binnie, David R. Glowacki, David R. Glowacki, David R. Glowacki
Published 2021-07-01

Multiscale analysis of enantioselectivity in enzyme-catalysed ‘lethal synthesis’ using projector-based embedding

by Xinglong Zhang, Simon J. Bennie, Marc W. van der Kamp, David R. Glowacki, Frederick R. Manby, Adrian J. Mulholland
Published 2018-01-01

Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking.

by Helen M Deeks, Rebecca K Walters, Stephanie R Hare, Michael B O'Connor, Adrian J Mulholland, David R Glowacki
Published 2020-01-01

A community-powered search of machine learning strategy space to find NMR property prediction models.

by Lars A Bratholm, Will Gerrard, Brandon Anderson, Shaojie Bai, Sunghwan Choi, Lam Dang, Pavel Hanchar, Addison Howard, Sanghoon Kim, Zico Kolter, Risi Kondor, Mordechai Kornbluth, Youhan Lee, Youngsoo Lee, Jonathan P Mailoa, Thanh Tu Nguyen, Milos Popovic, Goran Rakocevic, Walter Reade, Wonho Song, Luka Stojanovic, Erik H Thiede, Nebojsa Tijanic, Andres Torrubia, Devin Willmott, Craig P Butts, David R Glowacki
Published 2021-01-01