Protein-Ligand Interactions and Drug Design [E-Book] / edited by Flavio Ballante.
This detailed book collects modern and established computer-based methods aimed at addressing the drug discovery challenge from disparate perspectives by exploiting information on ligand-protein recognition. Beginning with methods that allow for the exploration of specific areas of chemical space an...
Saved in:
Full text |
|
Personal Name(s): | Ballante, Flavio, editor |
Edition: |
1st edition 2021. |
Imprint: |
New York, NY :
Humana Press,
2021
|
Physical Description: |
XV, 327 pages 107 illustrations, 81 illustrations in color (online resource) |
Note: |
englisch |
ISBN: |
9781071612095 |
DOI: |
10.1007/978-1-0716-1209-5 |
Series Title: |
/* Depending on the record driver, $field may either be an array with
"name" and "number" keys or a flat string containing only the series
name. We should account for both cases to maximize compatibility. */?>
Methods in Molecular Biology ;
2266 |
Subject (ZB): | |
Subject (LOC): | |
Classification: |
- Investigation of the Click-Chemical Space for Drug Design Using ZINClick
- Molecular Scaffold Hopping via Holistic Molecular Representation
- Biased Docking for Protein-Ligand Pose Prediction
- Binding Mode Prediction and Virtual Screening Applications by Covalent Docking
- Ligand-Receptor, Ligand-DNA Interactions and Drug Design
- Simulation of Ligand Transport in Receptors Using CaverDock
- Negative Image-Based Screening: Rigid Docking Using Cavity Information
- Negative Image-Based Rescoring: Using Cavity Information to Improve Docking Screening
- Fragment-Based Drug Design of Selective HDAC6 Inhibitors
- A Protocol to Use Comparative Binding Energy Analysis to Estimate Drug-Target Residence Time
- Dynamic Docking Using Multicanonical Molecular Dynamics: Simulating Complex Formation at the Atomistic Level
- Free Energy Calculations for Protein-Ligand Binding Prediction
- Exploiting Water Dynamics for Pharmacophore Screening
- Markov State Models to Elucidate Ligand Binding Mechanism
- From Homology Modeling to the Hit Identification and Drug Repurposing: A Structure-Based Approach in the Discovery of Novel Potential Anti-Obesity Compounds
- Multiple Target Drug Design Using LigBuilder 3
- Bionoi: A Voronoi Diagram-Based Representation of Ligand-Binding Sites in Proteins for Machine Learning Applications
- MDock: A Suite for Molecular Inverse Docking and Target Prediction.