Computational Drug Discovery and Design /
| Autor Corporativo: | |
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| Otros Autores: | , |
| Formato: | eBook |
| Lenguaje: | English |
| Publicado: |
New York, NY :
Springer New York : Imprint: Humana,
2018.
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| Edición: | 1st ed. 2018. |
| Colección: | Methods in Molecular Biology,
1762 |
| Materias: |
Tabla de Contenidos:
- Computer-Aided Drug Design – An Overview
- Prediction of Human Drug Targets and their Interactions Using Machine Learning Methods: Current and Future Perspectives
- Practices in Molecular Docking and Structure-based Virtual Screening
- Phylogenetic and Conservation Based Approaches to Predict Protein Functional Sites
- De novo design of Ligands using Computational Methods
- Molecular Dynamics Simulation and the Prediction of Druggable Binding Sites
- Virtual Ligand Screening using PL-PatchSurfer2, a Molecular Surface-based Protein-ligand Docking Method
- Fragment Based Ligand Designing
- Molecular Dynamics as a Tool for Virtual Ligand Screening
- Building Molecular Interaction Networks from Microarray Data for Drug Target Screening
- Absolute Alchemical Free Energy Calculations for Ligand Binding
- Evaluation of Protein-ligand Docking by Cyscore
- Molecular Dynamics Simulations of Protein-drug Complexes: A Computational Protocol for Investigating the Interactions of Small-Molecule Therapeutics with Biological Targets and Biosensors
- Prediction and Optimization of Pharmacokinetic and Toxicity Properties of the Ligand
- Protein-protein Docking in Drug Design and Discovery
- Automated Inference of Chemical Discriminants of Biological Activity
- Computational Exploration of Conformational Transitions in Protein Drug Targets
- Applications of the NRGsuite and the Molecular Docking Software FlexAID in Computational Drug Discovery and Design
- Calculation of Thermodynamic Properties of Bound Water Molecules
- Enhanced Molecular Dynamics Methods Applied to Drug Design Projects
- AGGRESCAN3D: Towards the Prediction of the Aggregation Propensities of Protein Structures
- Computational Analysis of Solvent Inclusion in Docking Studies of Protein-glycosaminoglycan Systems
- Understanding G Protein-Coupled Receptor Allostery via Molecular Dynamics Simulations: Implications for Drug Discovery
- Identification of Potential Microrna Biomarkers by Meta-analysis.