Docking Screens for Drug Discovery
Humana Press Inc. (Verlag)
978-1-4939-9754-1 (ISBN)
Authoritative and practical, Docking Screens for Drug Discovery aims to serve those interested in molecular docking simulation and also in the application of these methodologies for drug discovery.
Building Machine-Learning Scoring Functions for Structure-Based Prediction of Intermolecular Binding Affinity.- Integrating Molecular Docking and Molecular Dynamics Simulations.- How Docking Programs Work.- SAnDReS: A Computational Tool for Docking.- Electrostatic Energy in Protein-Ligand Complexes.- Van der Waals Potential in Protein Complexes.- Hydrogen-Bonds in Protein-Ligand Complexes.- Molecular Dynamics Simulations with NAMD2.- Docking with AutoDock4.- Molegro Virtual Docker for Docking.- Docking with GemDock.- Docking with SwissDock.- Molecular Docking Simulations with ArgusLab.- Web Services for Molecular Docking Simulations.- Homology Modeling of Protein Targets with MODELLER.- Machine Learning to Predict Binding Affinity.- Exploring the Scoring Function Space.
Erscheinungsdatum | 29.08.2020 |
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Reihe/Serie | Methods in Molecular Biology ; 2053 |
Zusatzinfo | 10 Illustrations, color; 153 Illustrations, black and white; XVII, 286 p. 163 illus., 10 illus. in color. |
Verlagsort | Totowa, NJ |
Sprache | englisch |
Maße | 178 x 254 mm |
Themenwelt | Informatik ► Weitere Themen ► Bioinformatik |
Medizin / Pharmazie ► Medizinische Fachgebiete ► Pharmakologie / Pharmakotherapie | |
Medizin / Pharmazie ► Pharmazie | |
Naturwissenschaften ► Biologie ► Biochemie | |
Schlagworte | Computational approaches • drug discovery • Ligand-binding affinity • molecular docking simulation • Protein-ligand docking simulations • Scoring functions • Target proteins |
ISBN-10 | 1-4939-9754-8 / 1493997548 |
ISBN-13 | 978-1-4939-9754-1 / 9781493997541 |
Zustand | Neuware |
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