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Water Mapping and Scoring Approaches to Predict the Role of Hydration Sites in the Binding Affinity of PAK1 Inhibitors.
Biswal, Jayashree; Jayaprakash, Prajisha; Rayala, Suresh Kumar; Venkatraman, Ganesh; Rangasamy, Raghu; Poopandi, Saritha; Jeyakanthan, Jeyaraman.
Afiliação
  • Biswal J; Department of Bioinformatics, Science Block, Alagappa University, Karaikudi - 630 004, Tamil Nadu,India.
  • Jayaprakash P; Department of Bioinformatics, Science Block, Alagappa University, Karaikudi - 630 004, Tamil Nadu,India.
  • Rayala SK; Department of Biotechnology, Indian Institute of Technology Madras, Room No. BT 306, Chennai-600 036, Tamil Nadu, India.
  • Venkatraman G; Department of Human Genetics, College of Biomedical Sciences, Sri Ramachandra University, Porur, Chennai-600 116, Tamil Nadu, India.
  • Rangasamy R; Department of Bioinformatics, Science Block, Alagappa University, Karaikudi - 630 004, Tamil Nadu,India.
  • Poopandi S; Department of Bioinformatics, Science Block, Alagappa University, Karaikudi - 630 004, Tamil Nadu,India.
  • Jeyakanthan J; Department of Bioinformatics, Science Block, Alagappa University, Karaikudi - 630 004, Tamil Nadu,India.
Comb Chem High Throughput Screen ; 25(4): 660-676, 2022.
Article em En | MEDLINE | ID: mdl-33687876
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Água / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Água / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2022 Tipo de documento: Article