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Molecular Simulation Volume 37, 2011 - Issue 14
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Original Articles

Homology modelling, virtual screening and molecular dynamics of the MARK3 KA1 domain for cancer drug design

Evandro P. Semighini Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Av. do Café, s/n – Monte Alegre, 14040-903, Ribeirão Preto-SP, Brazil
,
Carlton A. Taft Centro Brasileiro de Pesquisas Físicas (CBPF), Rua Dr. Xavier Sigaud, 150, Urca, 22290-180, Rio de Janeiro-RJ, BrazilCorrespondence[email protected]
&
Carlos H.T.P. Silva Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Av. do Café, s/n – Monte Alegre, 14040-903, Ribeirão Preto-SP, Brazil
Pages 1186-1206 | Received 11 Apr 2011, Accepted 12 May 2011, Published online: 07 Jul 2011

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Mariana P. Barcellos, Cleydson B. R. Santos, Leonardo B. Federico, Paulo Fernando de Almeida, Carlos H. T. de Paula. da Silva & Carlton A. Taft. (2019) Pharmacophore and structure-based drug design, molecular dynamics and admet/tox studies to design novel potential pad4 inhibitors. Journal of Biomolecular Structure and Dynamics 37:4, pages 966-981.
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Udghosh Singh, Rahul P. Gangwal, Rameshwar Prajapati, Gaurao V. Dhoke & Abhay T. Sangamwar. (2013) 3D QSAR pharmacophore-based virtual screening and molecular docking studies to identify novel matrix metalloproteinase 12 inhibitors. Molecular Simulation 39:5, pages 385-396.
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Arun JohnVetrivel UmashankarA. SamdaniManoharan SangeethaSubramanian KrishnakumarPerinkulam Ravi Deepa. (2016) In Silico Structure Prediction of Human Fatty Acid Synthase–Dehydratase: A Plausible Model for Understanding Active Site Interactions . Bioinformatics and Biology Insights 10, pages BBI.S38317.
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