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Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics

This book is a collection of original research articles in the field of computer-aided drug design. It reports the use of current and validated computational approaches applied to drug discovery as well as the development of new computational tools to identify new and more potent drugs.

Bibliographic Details
Main Author:	Tutone, Marco
Other Authors:	Almerico, Anna Maria
Format:	eBook
Language:	English
Published:	Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute 2021
Subjects:	3d-qsar Machine Learning Antibody:antigen Interactions Multiprotein Inhibiting Natural Compounds Molecular Dynamics Simulations Stone–wales Defects Polypharmacology Neurodegenerative Disorders Multitargeting Herg Toxicity Methotrexate Cox-2 Inhibitors Carbon Nanotubes Systems Medicine Design In Silico Inhibitors Induced-fit Docking Metadynamics Proteasome Molecular Dynamics Drug Delivery System Deep Learning Noncovalent Interactions Proteomic Signature Nicotinic Acetylcholine Receptor Main Protease Epitope Mapping Drug Repositioning Sars-cov-2 Pf-00835231 Human Dihydrofolate Reductase Isomeric Space Uropathogenic Bacteria Research & Information: General / Bicssc Sodium–glucose Co-transporters 2 Ligand-based Model Structural Characterization Diabetes Variants Molecular Dynamics (md) Simulation Dual-target Lead Discovery Urinary Tract Infections Tuberculosis Computational Biology Molecular Dynamics Simulation. Mrp4 Molecular Modeling Gene Expression Signature Fingerprints Fimh Pharmacophore Modeling Homology Modeling Doxorubicin Encapsulation Acetylcholinesterase 3cl-pro Multiple-molecule Drug Snps Haeckelite Defects Immunoproteasome Alzheimer’s Disease Drug Repurposing Protein Threading Modeling Md Simulation Mutants Natural Compounds Multi-modal Aging Progression Mechanism N/a Epitope Prediction Isoform-selective Histone Deacetylase Inhibitors Multiscale Epitope Binning Drug Resistance Docking Simulations Herpes Simplex Virus Fusion Proteins Binding Space Drug-resistance Mutations Molecular Docking Hiv-2 Protease Pk11195 Covid-19 Skin Aging Hdacs Virtual Screening Induced Structural Deformations Genome-wide Genetic And Epigenetic Network (gwgen) Pharmacophore Model Cholesterol Binding Site Drug Discovery Drug Repositioning Approaches Binding Free Energies Htspo High-throughput Virtual Screening Oxidative Stress Md Binding Structural Bioinformatics Dual Mode Of Action Antivirals Aminophenylbenzamide Non-covalent Inhibitors Glycoprotein D (gd) Consensus Models Protein Docking Mycobacterium Tuberculosis Chemistry / Bicssc Rna Expression Regulation Src Inhibitors
Online Access:	https://www.mdpi.com/books/book/4789 https://directory.doabooks.org/handle/20.500.12854...
Collection:	Directory of Open Access Books - Collection details see MPG.ReNa

Description
Summary:	This book is a collection of original research articles in the field of computer-aided drug design. It reports the use of current and validated computational approaches applied to drug discovery as well as the development of new computational tools to identify new and more potent drugs.
Item Description:	Creative Commons (cc), https://creativecommons.org/licenses/by/4.0/
Physical Description:	1 electronic resource (387 p.)
ISBN:	books978-3-0365-2778-9 9783036527789 9783036527796

Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics

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