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The HaptiMOL suite is developed from research undertaken in the School of Computing Sciences, University of East Anglia, Norwich, UK. The selected publications below document some of the research behind the HaptiMOL suite.
Iakovou, G., Laycock, S.D. and Hayward, S., "Interactive Flexible-Receptor Molecular Docking in Virtual Reality Using DockIT" , Journal of Chemical Information and Modeling, 2022.
Iakovou, G., Alhazzazi, M., Hayward, S. and Laycock, S.D., "DockIT: a tool for interactive molecular docking and molecular complex construction" , Bioinformatics, 2020.
Matthews, N., Kitao, A., Laycock, S.D. and Hayward, S., "Haptic-assisted interactive molecular docking incorporating receptor flexibility" , Journal of Chemical Information and Modeling, 2019.
Matthews, N., Easdon, R., Kitao, A., Hayward, S. and Laycock, S.D., "High quality rendering of protein dynamics in space filling mode", Journal of Molecular Graphics and Modelling, 2017.
Iakovou, G., Hayward, S. and Laycock, S.D., "Virtual Environment for Studying the Docking Interactions of Rigid Biomolecules with Haptics", Journal of Chemical Information and Modeling, 2017.
Iakovou, G., Laycock, S.D. and Hayward, S., "Determination of locked interfaces in biomolecular complexes using Haptimol_RD", Journal of Biophysics and Physicobiology, 2016.
Iakovou, G., Hayward, S. and Laycock, S.D., "Adaptive GPU-accelerated force calculation for interactive rigid molecular docking using haptics", Journal of Molecular Graphics and Modelling, 2015.
Iakovou, G., Hayward, S. and Laycock, S.D., "A real-time proximity querying algorithm for haptic-based molecular docking", Faraday Discussion 169, 2014.
Stocks, M.B., Laycock, S.D. and Hayward, S., "Applying forces to elastic network models of large biomolecules using a haptic feedback device", Journal of Computer-Aided Molecular Design, 2011.
Laycock, S.D., Stocks, M.B. and Hayward, S., "Navigation and exploration of large data-sets using a haptic feedback device", ACM Siggraph: Posters, 2010.
Stocks, M.B., Hayward, S. and Laycock, S.D., "Interacting with the biomolecular solvent accessible surface via a haptic feedback device", BMC Structural Biology, 9:69, 2009.
Stocks, M.B. and Laycock, S.D., "A Haptic Rendering Algorithm for Molecular Interaction", Eurographics Workshop on Visual Computing for Biomedicine, Delft, The Netherlands, pp. 37-44, October, 2008.
Laycock, S.D. and Day, A.M., "A Survey of Haptic Rendering Techniques", Computer Graphics Forum, vol. 26, no. 1, pp. 50-65, 2007.
Laycock, S. D. and Day, A. M., Recent Developments and Applications of Haptic Devices, Computer Graphics Forum, Volume 22, Issue 2, Page(s) 117-132, 2003.