HapticV1, Main, Exploration, bibRecordById, Pascal:10-0361717

Multisensory VR interaction for protein-docking in the CoRSAIRe project

Identifieur interne : 004870 ( Main/Exploration ); précédent : 004869; suivant : 004871

Multisensory VR interaction for protein-docking in the CoRSAIRe project

Auteurs : N. Ferey [France] ; J. Nelson [France] ; C. Martin [France] ; L. Picinali [France] ; G. Bouyer [France] ; A. Tek [France] ; P. Bourdot [France] ; J. M. Burkhardt [France] ; B. F. G. Katz [France] ; M. Ammi [France] ; C. Etchebest [France] ; L. Autin [France]

Source :

Virtual reality : (Waltham Cross) [ 1359-4338 ] ; 2009.

RBID : Pascal:10-0361717

Descripteurs français

Pascal (Inist)
- Biologie moléculaire, Réalité virtuelle, Interface multimodale, Interface utilisateur, Ergonomie, Asservissement visuel, Interaction moléculaire, Protéine, Structure protéine, Fixation ligand, Enzyme, Orientation, Macromolécule, Industrie pharmaceutique, Arrimage, Base donnée chimique, Pharmacologie, Chemoinformatique, Base donnée très grande.
Wicri :
- topic : Réalité virtuelle, Ergonomie, Enzyme, Industrie pharmaceutique, Pharmacologie.

English descriptors

KwdEn :
- Chemical databasis, Cheminformatics, Docking, Enzyme, Ergonomics, Ligand binding, Macromolecule, Molecular biology, Molecular interaction, Multimodal interface, Orientation, Pharmaceutical industry, Pharmacology, Protein, Protein structure, User interface, Very large databases, Virtual reality, Visual servoing.

Abstract

Proteins take on their function in the cell by interacting with other proteins or biomolecular complexes. To study this process, computational methods, collectively named protein docking, are used to predict the position and orientation of a protein ligand when it is bound to a protein receptor or enzyme, taking into account chemical or physical criteria. This process is intensively studied to discover new biological functions for proteins and to better understand how these macromolecules take on these functions at the molecular scale. Pharmaceutical research also employs docking techniques for a variety of purposes, most notably in the virtual screening of large databases of available chemicals to select likely molecular candidates for drug design. The basic hypothesis of our work is that Virtual Reality (VR) and multimodal interaction can increase efficiency in reaching and analysing docking solutions, in addition to fully a computational docking approach. To this end, we conducted an ergonomic analysis of the protein-protein current docking task as it is carried out today. Using these results, we designed an immersive and multimodal application where VR devices, such as the three-dimensional mouse and haptic devices, are used to interactively manipulate two proteins to explore possible docking solutions. During this exploration, visual, audio, and haptic feedbacks are combined to render and evaluate chemical or physical properties of the current docking configuration.

Affiliations:

Links toward previous steps (curation, corpus...)

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Le document en format XML

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<term>Docking</term>
<term>Enzyme</term>
<term>Ergonomics</term>
<term>Ligand binding</term>
<term>Macromolecule</term>
<term>Molecular biology</term>
<term>Molecular interaction</term>
<term>Multimodal interface</term>
<term>Orientation</term>
<term>Pharmaceutical industry</term>
<term>Pharmacology</term>
<term>Protein</term>
<term>Protein structure</term>
<term>User interface</term>
<term>Very large databases</term>
<term>Virtual reality</term>
<term>Visual servoing</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Biologie moléculaire</term>
<term>Réalité virtuelle</term>
<term>Interface multimodale</term>
<term>Interface utilisateur</term>
<term>Ergonomie</term>
<term>Asservissement visuel</term>
<term>Interaction moléculaire</term>
<term>Protéine</term>
<term>Structure protéine</term>
<term>Fixation ligand</term>
<term>Enzyme</term>
<term>Orientation</term>
<term>Macromolécule</term>
<term>Industrie pharmaceutique</term>
<term>Arrimage</term>
<term>Base donnée chimique</term>
<term>Pharmacologie</term>
<term>Chemoinformatique</term>
<term>Base donnée très grande</term>
</keywords>
<keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Réalité virtuelle</term>
<term>Ergonomie</term>
<term>Enzyme</term>
<term>Industrie pharmaceutique</term>
<term>Pharmacologie</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">Proteins take on their function in the cell by interacting with other proteins or biomolecular complexes. To study this process, computational methods, collectively named protein docking, are used to predict the position and orientation of a protein ligand when it is bound to a protein receptor or enzyme, taking into account chemical or physical criteria. This process is intensively studied to discover new biological functions for proteins and to better understand how these macromolecules take on these functions at the molecular scale. Pharmaceutical research also employs docking techniques for a variety of purposes, most notably in the virtual screening of large databases of available chemicals to select likely molecular candidates for drug design. The basic hypothesis of our work is that Virtual Reality (VR) and multimodal interaction can increase efficiency in reaching and analysing docking solutions, in addition to fully a computational docking approach. To this end, we conducted an ergonomic analysis of the protein-protein current docking task as it is carried out today. Using these results, we designed an immersive and multimodal application where VR devices, such as the three-dimensional mouse and haptic devices, are used to interactively manipulate two proteins to explore possible docking solutions. During this exploration, visual, audio, and haptic feedbacks are combined to render and evaluate chemical or physical properties of the current docking configuration.</div>
</front>
</TEI>
<affiliations><list><country><li>France</li>
</country>
<region><li>Île-de-France</li>
</region>
<settlement><li>Orsay</li>
<li>Paris</li>
</settlement>
<orgName><li>Université Paris-Sud</li>
</orgName>
</list>
<tree><country name="France"><region name="Île-de-France"><name sortKey="Ferey, N" sort="Ferey, N" uniqKey="Ferey N" first="N." last="Ferey">N. Ferey</name>
</region>
<name sortKey="Ammi, M" sort="Ammi, M" uniqKey="Ammi M" first="M." last="Ammi">M. Ammi</name>
<name sortKey="Autin, L" sort="Autin, L" uniqKey="Autin L" first="L." last="Autin">L. Autin</name>
<name sortKey="Bourdot, P" sort="Bourdot, P" uniqKey="Bourdot P" first="P." last="Bourdot">P. Bourdot</name>
<name sortKey="Bouyer, G" sort="Bouyer, G" uniqKey="Bouyer G" first="G." last="Bouyer">G. Bouyer</name>
<name sortKey="Burkhardt, J M" sort="Burkhardt, J M" uniqKey="Burkhardt J" first="J. M." last="Burkhardt">J. M. Burkhardt</name>
<name sortKey="Etchebest, C" sort="Etchebest, C" uniqKey="Etchebest C" first="C." last="Etchebest">C. Etchebest</name>
<name sortKey="Katz, B F G" sort="Katz, B F G" uniqKey="Katz B" first="B. F. G." last="Katz">B. F. G. Katz</name>
<name sortKey="Martin, C" sort="Martin, C" uniqKey="Martin C" first="C." last="Martin">C. Martin</name>
<name sortKey="Nelson, J" sort="Nelson, J" uniqKey="Nelson J" first="J." last="Nelson">J. Nelson</name>
<name sortKey="Picinali, L" sort="Picinali, L" uniqKey="Picinali L" first="L." last="Picinali">L. Picinali</name>
<name sortKey="Tek, A" sort="Tek, A" uniqKey="Tek A" first="A." last="Tek">A. Tek</name>
</country>
</tree>
</affiliations>
</record>

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Multisensory VR interaction for protein-docking in the CoRSAIRe project

Multisensory VR interaction for protein-docking in the CoRSAIRe project

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