Applied case studies and solutions in molecular docking-based drug design

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Role of molecular docking in computer-aided drug design and development / Rahul Agarwal, Ashutosh Singh, Subhabrata Sen -- Application of docking methodologies in QSAR-based studies / Omar Deeb [and 3 others] -- Molecular docking challenges and limitations / Jahan B. Ghasemi, Azizeh Abdolmaleki, Fereshteh Shiri -- Application of molecular docking in studies on the binding mechanism of three enzymes with natural products / Hua-jin Zeng, Ran Yang, Ling-bo Qu -- Molecular docking of biologically active substances to double helical nucleic acids: problems and solutions / Kateryna V. Miroshnychenko, Anna V. Shestopalova -- Molecular-docking-based drug design and discovery: rational drug design for the subtype selective GPCR ligands / Soo-Kyung Kim, William A. Goddard III -- Molecular modelling, dynamics, and docking of membrane proteins: still a challenge / Nanda Kumar Yellapu -- In silico perspective into interactions and mutations in human TLR4 and Ebola glycoprotein / Sujay Ray, Arundhati Banerjee -- Molecular-docking-based anti-allergic drug design / Anamika Basu, Piyali Basak, Anasua Sarkar -- Protein-protein interactions (PPIs) as an alternative to targeting the ATP binding site of kinase: in silico approach to Identify PPI Inhibitors / Sailu Sarvagalla, Mohane Selvaraj Coumar -- Applications of molecular docking: its impact and importance outside the purview of drug discovery / Josephine Anthony [and 4 others]

Also available in print.

10.4018/978-1-5225-0362-0 [DOI]

ECONIS - Online Catalogue of the ZBW