Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data

The role of Virtual Reality (VR) tools in molecular sciences is analyzed in this contribution through the presentation of the Caffeine software to the quantum chemistry community. Caffeine, developed at Scuola Normale Superiore, is specifically tailored for molecular representation and data visualiz...

Descripción completa

Detalles Bibliográficos
Autores principales: Salvadori, Andrea, Del Frate, Gianluca, Pagliai, Marco, Mancini, Giordano, Barone, Vincenzo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2016
Materias:
Software News & Updates
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5101850/
https://www.ncbi.nlm.nih.gov/pubmed/27867214
http://dx.doi.org/10.1002/qua.25207
_version_ 1782466362948452352
author Salvadori, Andrea
Del Frate, Gianluca
Pagliai, Marco
Mancini, Giordano
Barone, Vincenzo
author_facet Salvadori, Andrea
Del Frate, Gianluca
Pagliai, Marco
Mancini, Giordano
Barone, Vincenzo
author_sort Salvadori, Andrea
collection PubMed
description The role of Virtual Reality (VR) tools in molecular sciences is analyzed in this contribution through the presentation of the Caffeine software to the quantum chemistry community. Caffeine, developed at Scuola Normale Superiore, is specifically tailored for molecular representation and data visualization with VR systems, such as VR theaters and helmets. Usefulness and advantages that can be gained by exploiting VR are here reported, considering few examples specifically selected to illustrate different level of theory and molecular representation.
format Online
Article
Text
id pubmed-5101850
institution National Center for Biotechnology Information
language English
publishDate 2016
publisher John Wiley and Sons Inc.
record_format MEDLINE/PubMed
spelling pubmed-51018502016-11-16 Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data Salvadori, Andrea Del Frate, Gianluca Pagliai, Marco Mancini, Giordano Barone, Vincenzo Int J Quantum Chem Software News & Updates The role of Virtual Reality (VR) tools in molecular sciences is analyzed in this contribution through the presentation of the Caffeine software to the quantum chemistry community. Caffeine, developed at Scuola Normale Superiore, is specifically tailored for molecular representation and data visualization with VR systems, such as VR theaters and helmets. Usefulness and advantages that can be gained by exploiting VR are here reported, considering few examples specifically selected to illustrate different level of theory and molecular representation. John Wiley and Sons Inc. 2016-07-13 2016-11-15 /pmc/articles/PMC5101850/ /pubmed/27867214 http://dx.doi.org/10.1002/qua.25207 Text en © 2016 The Authors International Journal of Quantum Chemistry Published by Wiley Periodicals, Inc. This is an open access article under the terms of the Creative Commons Attribution‐NonCommercial (http://creativecommons.org/licenses/by-nc/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.
spellingShingle Software News & Updates
Salvadori, Andrea
Del Frate, Gianluca
Pagliai, Marco
Mancini, Giordano
Barone, Vincenzo
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data
title Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data
title_full Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data
title_fullStr Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data
title_full_unstemmed Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data
title_short Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data
title_sort immersive virtual reality in computational chemistry: applications to the analysis of qm and mm data
topic Software News & Updates
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5101850/
https://www.ncbi.nlm.nih.gov/pubmed/27867214
http://dx.doi.org/10.1002/qua.25207
work_keys_str_mv AT salvadoriandrea immersivevirtualrealityincomputationalchemistryapplicationstotheanalysisofqmandmmdata
AT delfrategianluca immersivevirtualrealityincomputationalchemistryapplicationstotheanalysisofqmandmmdata
AT pagliaimarco immersivevirtualrealityincomputationalchemistryapplicationstotheanalysisofqmandmmdata
AT mancinigiordano immersivevirtualrealityincomputationalchemistryapplicationstotheanalysisofqmandmmdata
AT baronevincenzo immersivevirtualrealityincomputationalchemistryapplicationstotheanalysisofqmandmmdata

Ejemplares similares