TANGO: A high through-put conformation generation and semiempirical method-based optimization tool for ligand molecules.

Gavane, Vivek; Koulgi, Shruti; Jani, Vinod; Uppuladinne, Mallikarjunachari V N; Sonavane, Uddhavesh; Joshi, Rajendra

Gavane, Vivek; Koulgi, Shruti; Jani, Vinod; Uppuladinne, Mallikarjunachari V N; Sonavane, Uddhavesh; Joshi, Rajendra.

Afiliación

Gavane V; HPC - Medical & Bioinformatics Applications Group, Centre for Development of Advanced Computing, Pune, India.
Koulgi S; HPC - Medical & Bioinformatics Applications Group, Centre for Development of Advanced Computing, Pune, India.
Jani V; HPC - Medical & Bioinformatics Applications Group, Centre for Development of Advanced Computing, Pune, India.
Uppuladinne MVN; HPC - Medical & Bioinformatics Applications Group, Centre for Development of Advanced Computing, Pune, India.
Sonavane U; HPC - Medical & Bioinformatics Applications Group, Centre for Development of Advanced Computing, Pune, India.
Joshi R; HPC - Medical & Bioinformatics Applications Group, Centre for Development of Advanced Computing, Pune, India.

J Comput Chem ; 40(7): 900-909, 2019 03 15.

Article en En | MEDLINE | ID: mdl-30365168

Palabras clave

conformation generation; mopac; optimization; torsion library

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2019 Tipo del documento: Article País de afiliación: India

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