Virtual environment for studying the docking interactions of rigid biomolecules with haptics

Iakovou, Georgios, Hayward, Steven ORCID: https://orcid.org/0000-0001-6959-2604 and Laycock, Stephen (2017) Virtual environment for studying the docking interactions of rigid biomolecules with haptics. Journal of Chemical Information and Modeling, 57 (5). 1142–1152. ISSN 1549-9596

Preview

PDF (Accepted manuscript) - Accepted Version Download (26MB) | Preview

Abstract

Haptic technology facilitates user interaction with the virtual world via the sense of touch. In molecular docking, haptics enables the user to sense the interaction forces during the docking process. Here we describe a haptics-assisted interactive software tool, called Haptimol RD, for the study of docking interactions. By utilising GPU-accelerated proximity querying methods very large systems can now be studied. Methods for force scaling, multipoint collision response and haptic navigation are described that address force stability issues that are particular to the interactive docking of large systems. Thus Haptimol RD expands, for the first time, the use of interactive biomolecular haptics to the study of protein-protein interactions. Unlike existing approaches, Haptimol RD is designed to run on relatively inexpensive consumer-level hardware and is freely available to the community.

Item Type:	Article
Faculty \ School:	Faculty of Science > School of Computing Sciences
UEA Research Groups:	Faculty of Science > Research Groups > Interactive Graphics and Audio Faculty of Science > Research Groups > Computational Biology
Related URLs:	http://pubs.acs.org/doi/abs/10.1021/acs....
Depositing User:	Pure Connector
Date Deposited:	04 May 2017 05:10
Last Modified:	30 Jan 2024 01:46
URI:	https://ueaeprints.uea.ac.uk/id/eprint/63375
DOI:	10.1021/acs.jcim.7b00051

Downloads

Actions (login required)

View Item