Perspectives of Halogen Bonding Description in Scoring Functions and QSAR/QSPR: Substituent Effects in Aromatic Core.

Titov, Oleg I; Shulga, Dmitry A; Palyulin, Vladimir A; Zefirov, Nikolay S

Titov, Oleg I; Shulga, Dmitry A; Palyulin, Vladimir A; Zefirov, Nikolay S.

Afiliación

Titov OI; Department of Chemistry, Lomonosov Moscow State University, Moscow, 119991 Russia phone: +7 (495) 939-3969, fax: +7 (495) 939-0290.
Shulga DA; Department of Chemistry, Lomonosov Moscow State University, Moscow, 119991 Russia phone: +7 (495) 939-3969, fax: +7 (495) 939-0290.
Palyulin VA; Department of Chemistry, Lomonosov Moscow State University, Moscow, 119991 Russia phone: +7 (495) 939-3969, fax: +7 (495) 939-0290. vap@qsar.chem.msu.ru.
Zefirov NS; Department of Chemistry, Lomonosov Moscow State University, Moscow, 119991 Russia phone: +7 (495) 939-3969, fax: +7 (495) 939-0290.

Mol Inform ; 34(6-7): 404-16, 2015 06.

Article en En | MEDLINE | ID: mdl-27490386

Asunto(s)

Simulación del Acoplamiento Molecular; Halógenos/química

Palabras clave

Drug design; Electrostatic interactions; Halogen bonding; Molecular modelling; QSAR

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Simulación del Acoplamiento Molecular Tipo de estudio: Prognostic_studies Idioma: En Revista: Mol Inform Año: 2015 Tipo del documento: Article Pais de publicación: Alemania

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