In Silico Drug Discovery and Design
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In Silico Drug Discovery and Design
Theory, Methods, Challenges, and Applications
Cavasotto, Claudio N.
Taylor & Francis Ltd
07/2017
558
Mole
Inglês
9781138747586
15 a 20 dias
Descrição não disponível.
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 Alvaro Cortes-Cabrera, Pedro A. Sanchez 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 Damian 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. Guimaraes 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 Marton Vass, Gergely Makara, and Gyoergy Miklos Keseru Role of Water Molecules and Hydration Properties in Modeling Ligand-Protein Interaction and Drug Design Alfonso T. Garcia-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
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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 Alvaro Cortes-Cabrera, Pedro A. Sanchez 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 Damian 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. Guimaraes 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 Marton Vass, Gergely Makara, and Gyoergy Miklos Keseru Role of Water Molecules and Hydration Properties in Modeling Ligand-Protein Interaction and Drug Design Alfonso T. Garcia-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
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
