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J Mol Graph Model ; 89: 234-241, 2019 06.
Artigo em Inglês | MEDLINE | ID: mdl-30921557

RESUMO

In drug discovery, structural knowledge of a target enables structure-based design approaches and thereby reduces the time and labor required to develop a therapy. Whilst molecular graphics frameworks coupled with computational analysis are now ubiquitous tools for the structural and computational biologist, sharing the detailed visualization and derived structural information with non-expert users still presents a challenge. Here we describe an intuitive virtual world for viewing, manipulating, and modifying chemical and macromolecular structures in a fully immersive and collaborative 3D environment. By reducing the barriers to viewing and interacting with structural data, structural analysis can be democratized to a general scientist, which in turn fosters novel collaboration, ideas, and findings in structural biology and structure-based drug discovery.


Assuntos
Descoberta de Drogas , Relação Quantitativa Estrutura-Atividade , Realidade Virtual , Sítios de Ligação , Biologia Computacional , Desenho de Fármacos , Humanos , Ligantes , Ligação Proteica , Proteína Serina-Treonina Quinase 2 de Interação com Receptor/antagonistas & inibidores , Proteína Serina-Treonina Quinase 2 de Interação com Receptor/química , Software , Interface Usuário-Computador
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