[HTML][HTML] Molecular visualization on the holodeck

TD Goddard, AA Brilliant, TL Skillman… - Journal of molecular …, 2018 - Elsevier
Can virtual reality be useful for visualizing and analyzing molecular structures and three-
dimensional (3D) microscopy? Uses we are exploring include studies of drug binding to …

Exploration of reaction pathways and chemical transformation networks

GN Simm, AC Vaucher, M Reiher - The Journal of Physical …, 2018 - ACS Publications
For the investigation of chemical reaction networks, the identification of all relevant
intermediates and elementary reactions is mandatory. Many algorithmic approaches exist …

[HTML][HTML] An immersive journey to the molecular structure of SARS-CoV-2: Virtual reality in COVID-19

M Calvelo, A Pineiro, R Garcia-Fandino - Computational and structural …, 2020 - Elsevier
The era of the explosion of immersive technologies has bumped head-on with the
coronavirus disease 2019 (COVID-19) global pandemic caused by the severe acute …

NAVIG: Augmented reality guidance system for the visually impaired: Combining object localization, GNSS, and spatial audio

BFG Katz, S Kammoun, G Parseihian, O Gutierrez… - Virtual Reality, 2012 - Springer
Navigating complex routes and finding objects of interest are challenging tasks for the
visually impaired. The project NAVIG (Navigation Assisted by artificial VIsion and GNSS) is …

[HTML][HTML] Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework

MB O'Connor, SJ Bennie, HM Deeks… - The Journal of …, 2019 - pubs.aip.org
As molecular scientists have made progress in their ability to engineer nanoscale molecular
structure, we face new challenges in our ability to engineer molecular dynamics (MD) and …

[HTML][HTML] Exploring human-guided strategies for reaction network exploration: Interactive molecular dynamics in virtual reality as a tool for citizen scientists

RJ Shannon, HM Deeks, E Burfoot, E Clark… - The Journal of …, 2021 - pubs.aip.org
The emerging fields of citizen science and gamification reformulate scientific problems as
games or puzzles to be solved. Through engaging the wider non-scientific community …

Wielding the power of interactive molecular simulations

A Lanrezac, N Férey, M Baaden - Wiley Interdisciplinary …, 2022 - Wiley Online Library
Since the dawn of the computer age, scientists have designed devices to represent
molecular structures and developed tools to simulate their dynamic behavior in silico. To this …

Ten simple rules to create a serious game, illustrated with examples from structural biology

M Baaden, O Delalande, N Ferey… - PLoS computational …, 2018 - journals.plos.org
Serious scientific games are games whose purpose is not just fun. In the field of science, the
serious goals include crucial activities for scientists: outreach, teaching and research. The …

Interactive flexible-receptor molecular docking in virtual reality using DockIT

G Iakovou, SD Laycock, S Hayward - Journal of Chemical …, 2022 - ACS Publications
Interactive docking enables the user to guide and control the docking of two biomolecules
into a binding pose. It is of particular use when the binding site is known and is thought to be …

UDock2: interactive real-time multi-body protein–protein docking software

C Plateau-Holleville, S Guionnière, B Boyer… - …, 2023 - academic.oup.com
Motivation Protein–protein docking aims at predicting the geometry of protein interactions to
gain insights into the mechanisms underlying these processes and develop new strategies …