In silico drug discovery and design : theory, methods, challenges, and applications /: theory, methods, challenges, and applications. (2015)

• Record Type: Book
• Further Information: Note: Editor, Claudio N. Cavasotto.
• Editors: Cavasotto, Claudio N
• Contents: The Physical Basis of Ligand Binding; Thomas Simonson ; Force-Field Representation of Biomolecular Systems ; Meagan C. Small and Alexander D. MacKerell, Jr. ; Library Design, Chemical Space, and Drug Likeness ; Hugo O. Villar ; Ligand-Based Drug Discovery and Design ; Álvaro Cortés-Cabrera, Pedro A. Sánchez Murcia, Antonio Morreale, and Federico Gago ; Pharmacophore Modeling and Pharmacophore-Based Virtual Screening ; Muhammad Akram, Teresa Kaserer, and Daniela Schuster ; Protein-Ligand Docking: From Basic Principles to Advanced Applications ; Christoph A. Sotriffer ; Protein-Ligand Docking: Virtual Screening and Applications to Drug Discovery ; Antonella Ciancetta and Stefano Moro ; Protein Structure Modeling in Drug Design ; Damián Palomba and Claudio N. Cavasotto ; Implicit Solvation Methods in the Study of Ligand-Protein Interactions ; William Zamora, Josep M. Campanera, and F. Javier Luque ; Toward Complete Cellular Pocketomes and Predictive Polypharmacology ; Ruben A. Abagyan and Bryn Taylor ; MM-GB/SA Rescoring of Docking Poses: Tricks of the Trade ; Cristiano R. W. Guimarães ; Free Energy Calculations of Ligand-Protein Binding ; Rainer Bomblies, Manuel Luitz, and Martin Zacharias ; Molecular Mechanics/Coarse-Grained Simulations as a Structural Prediction Tool for GPCRs/Ligand Complexes ; Francesco Musiani, Alejandro Giorgetti, and Paolo Carloni ; Fragment-Based Methods in Drug Design ; Márton Vass, Gergely Makara, and György Miklós Keseru ; Role of Water Molecules and Hydration Properties in Modeling Ligand-Protein Interaction and Drug Design ; Alfonso T. García-Sosa ; How Protein Flexibility Can Influence Docking/Scoring Simulations ; Pietro Cozzini, Luca Dellafiora, Tiziana Ginex, and Francesca Spyrakis ; In Silico Approaches Assisting the Rational Design of Low Molecular Weight Protein-Protein Interaction Modulators ; Bruno O. Villoutreix, Melaine A. Kuenemann, David Lagorce, Olivier Sperandio, and Maria A. Miteva ; Incorporating Binding Kinetics in Drug Design ; Chung F. Wong
• Edition: 1st
• Publisher Details: Boca Raton : CRC Press
• Publication Date: 2015
• Extent: 1 online resource, illustrations (black and white, and colour)
• Subjects: 615.19; Drug development -- Computer simulation; Computational biology
• Languages: English
• ISBNs: 9781482217858
• Related ISBNs: 9781482217834
• Notes: Note: Includes bibliographical references and index.; Note: Description based on CIP data; item not viewed.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.