159 related articles for article (PubMed ID: 31202243)
1. Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework.
O'Connor MB; Bennie SJ; Deeks HM; Jamieson-Binnie A; Jones AJ; Shannon RJ; Walters R; Mitchell TJ; Mulholland AJ; Glowacki DR
J Chem Phys; 2019 Jun; 150(22):220901. PubMed ID: 31202243
[TBL] [Abstract][Full Text] [Related]
2. Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking.
Deeks HM; Walters RK; Hare SR; O'Connor MB; Mulholland AJ; Glowacki DR
PLoS One; 2020; 15(3):e0228461. PubMed ID: 32160194
[TBL] [Abstract][Full Text] [Related]
3. The emerging potential of interactive virtual reality in drug discovery.
Walters RK; Gale EM; Barnoud J; Glowacki DR; Mulholland AJ
Expert Opin Drug Discov; 2022 Jul; 17(7):685-698. PubMed ID: 35638298
[TBL] [Abstract][Full Text] [Related]
4. Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease.
Deeks HM; Walters RK; Barnoud J; Glowacki DR; Mulholland AJ
J Chem Inf Model; 2020 Dec; 60(12):5803-5814. PubMed ID: 33174415
[TBL] [Abstract][Full Text] [Related]
5. Free energy along drug-protein binding pathways interactively sampled in virtual reality.
Deeks HM; Zinovjev K; Barnoud J; Mulholland AJ; van der Kamp MW; Glowacki DR
Sci Rep; 2023 Oct; 13(1):16665. PubMed ID: 37794083
[TBL] [Abstract][Full Text] [Related]
6. Interactive molecular dynamics in virtual reality for modelling materials and catalysts.
Crossley-Lewis J; Dunn J; Buda C; Sunley GJ; Elena AM; Todorov IT; Yong CW; Glowacki DR; Mulholland AJ; Allan NL
J Mol Graph Model; 2023 Dec; 125():108606. PubMed ID: 37660615
[TBL] [Abstract][Full Text] [Related]
7. Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual Reality.
Amabilino S; Bratholm LA; Bennie SJ; Vaucher AC; Reiher M; Glowacki DR
J Phys Chem A; 2019 May; 123(20):4486-4499. PubMed ID: 30892040
[TBL] [Abstract][Full Text] [Related]
8. Macromolecular crowding: chemistry and physics meet biology (Ascona, Switzerland, 10-14 June 2012).
Foffi G; Pastore A; Piazza F; Temussi PA
Phys Biol; 2013 Aug; 10(4):040301. PubMed ID: 23912807
[TBL] [Abstract][Full Text] [Related]
9. Sampling molecular conformations and dynamics in a multiuser virtual reality framework.
O'Connor M; Deeks HM; Dawn E; Metatla O; Roudaut A; Sutton M; Thomas LM; Glowacki BR; Sage R; Tew P; Wonnacott M; Bates P; Mulholland AJ; Glowacki DR
Sci Adv; 2018 Jun; 4(6):eaat2731. PubMed ID: 29963636
[TBL] [Abstract][Full Text] [Related]
10. InteraChem: Exploring Excited States in Virtual Reality with
Wang Y; Seritan S; Lahana D; Ford JE; Valentini A; Hohenstein EG; Martínez TJ
J Chem Theory Comput; 2022 Jun; 18(6):3308-3317. PubMed ID: 35649124
[TBL] [Abstract][Full Text] [Related]
11. Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study.
Phanich J; Rungrotmongkol T; Kungwan N; Hannongbua S
J Comput Aided Mol Des; 2016 Oct; 30(10):917-926. PubMed ID: 27714494
[TBL] [Abstract][Full Text] [Related]
12. Interactive Flexible-Receptor Molecular Docking in Virtual Reality Using DockIT.
Iakovou G; Laycock SD; Hayward S
J Chem Inf Model; 2022 Dec; 62(23):5855-5861. PubMed ID: 36398912
[TBL] [Abstract][Full Text] [Related]
13. Exploring human-guided strategies for reaction network exploration: Interactive molecular dynamics in virtual reality as a tool for citizen scientists.
Shannon RJ; Deeks HM; Burfoot E; Clark E; Jones AJ; Mulholland AJ; Glowacki DR
J Chem Phys; 2021 Oct; 155(15):154106. PubMed ID: 34686059
[TBL] [Abstract][Full Text] [Related]
14. Combining Virtual Reality Visualization with Ensemble Molecular Dynamics to Study Complex Protein Conformational Changes.
Juárez-Jiménez J; Tew P; O Connor M; Llabrés S; Sage R; Glowacki D; Michel J
J Chem Inf Model; 2020 Dec; 60(12):6344-6354. PubMed ID: 33180485
[TBL] [Abstract][Full Text] [Related]
15. MOF-VR: A Virtual Reality Program for Performing and Visualizing Immersive Molecular Dynamics Simulations of Guest Molecules in Metal-Organic Frameworks.
von Wedelstedt A; Goebel G; Kalies G
J Chem Inf Model; 2022 Mar; 62(5):1154-1159. PubMed ID: 35188761
[TBL] [Abstract][Full Text] [Related]
16. Glycan binding and specificity of viral influenza neuraminidases by classical molecular dynamics and replica exchange molecular dynamics simulations.
Phanich J; Threeracheep S; Kungwan N; Rungrotmongkol T; Hannongbua S
J Biomol Struct Dyn; 2019 Aug; 37(13):3354-3365. PubMed ID: 30126341
[TBL] [Abstract][Full Text] [Related]
17. The Potential of Immersive Virtual Reality for Cognitive Training in Elderly.
Bauer ACM; Andringa G
Gerontology; 2020; 66(6):614-623. PubMed ID: 32906122
[TBL] [Abstract][Full Text] [Related]
18. Mutation-induced loop opening and energetics for binding of tamiflu to influenza N8 neuraminidase.
Kar P; Knecht V
J Phys Chem B; 2012 May; 116(21):6137-49. PubMed ID: 22553951
[TBL] [Abstract][Full Text] [Related]
19. Decoding subjective emotional arousal from EEG during an immersive virtual reality experience.
Hofmann SM; Klotzsche F; Mariola A; Nikulin V; Villringer A; Gaebler M
Elife; 2021 Oct; 10():. PubMed ID: 34708689
[TBL] [Abstract][Full Text] [Related]
20. Touching proteins with virtual bare hands : Visualizing protein-drug complexes and their dynamics in self-made virtual reality using gaming hardware.
Ratamero EM; Bellini D; Dowson CG; Römer RA
J Comput Aided Mol Des; 2018 Jun; 32(6):703-709. PubMed ID: 29882064
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
