| Description |
1 online resource |
| Series |
SpringerBriefs in computer science, 2191-5768 |
|
SpringerBriefs in computer science.
|
| Contents |
Intro; Preface; Contents; About the Authors; 1 Brief Introduction; 1.1 Brief Evolutionary History of In Silico Approaches; 1.2 Computational Drug Discovery and Design; 1.3 Epigenetics: Beyond the Sequence; 1.4 Histones Modification; References; 2 Ligand-Based Approach for In-silico Drug Designing; 2.1 Introduction; 2.2 Molecular Descriptors; 2.2.1 2D QSAR Descriptors; 2.2.2 3D QSAR Descriptors; 2.2.3 Multidimensional QSAR; 2.3 Constitutional Descriptors; 2.4 Quantitative Structure-Activity Relationships; 2.5 Molecular Fingerprint and Similarity Searches; 2.6 Similarity Searches in LB-CADD |
|
2.7 Similarity Networks and off Target Predictions2.8 Fingerprint Extensions; 2.9 Computational Methods for Biomolecular Docking; References; 3 Structure-Based Approach for In-silico Drug Designing; 3.1 Introduction; 3.2 Protein Docking; 3.2.1 Protein-Protein Docking; 3.2.2 Protein-Ligand Docking; References; 4 Three-Dimensional (3D) Pharmacophore Modelling-Based Drug Designing by Computational Technique; 4.1 Introduction; 4.1.1 Pharmacophore Model; References; 5 Molecular Dynamics Simulation Approach to Investigate Dynamic Behaviour of System Through the Application of Newtonian Mechanics |
|
5.1 Introduction5.2 Molecular Dynamics Simulations; 5.3 Monte Carlo Research with Metropolis Criterion; References; 6 Receptor Thermodynamics of Ligand-Receptor or Ligand-Enzyme Association; 6.1 Introduction; 6.2 Database Searching; 6.2.1 De Novo Drug Design; 6.3 State-of-the-Art Free Energy Calculations; References; 7 Thermodynamic Cycles and Their Application in Protein Targets; 7.1 Introduction; 7.2 Protein Targets and Applications; 7.3 4-Hydroxyphenylpyruvate Dioxygenase (HPPD); 7.4 Oligopeptide-Binding Protein a (OppA); References; 8 Genomics and Proteomics Using Computational Biology |
|
8.1 Introduction8.2 Peptide Identification; 8.3 De Novo and Hybrid Algorithms; 8.4 Sequence Database Search Algorithms; 8.5 Scoring of Peptide Identifications; 8.6 Peptide-Spectrum Match Scores and Common Thresholds; 8.7 Fundamentals of Gene Transcription and Translation; 8.8 Genome Sequencing; 8.9 Definition of Genome Annotation; 8.10 Genome Annotation Strategies; 8.11 Proteogenomics; References |
| Summary |
The application of bioinformatics approaches in drug design involves an interdisciplinary array of sophisticated techniques and software tools to elucidate hidden or complex biological data. This work reviews the latest bioinformatics approaches used for drug discovery. The text covers ligand-based and structure-based approaches for computer-aided drug design, 3D pharmacophore modeling, molecular dynamics simulation, the thermodynamics of ligand-receptor and ligand-enzyme association, thermodynamic characterization and optimization, and techniques for computational genomics and proteomics |
| Bibliography |
Includes bibliographical references |
| Notes |
Online resource; title from PDF title page (SpringerLink, viewed May 3, 2018) |
| In |
Springer eBooks |
| Subject |
Drugs -- Design -- Data processing
|
|
Bioinformatics.
|
|
Pharmacy informatics.
|
|
Toxicology.
|
|
Computational Biology
|
|
Toxicology
|
|
toxicology.
|
|
Life sciences: general issues.
|
|
Pharmacology.
|
|
MEDICAL -- Pharmacology.
|
|
Bioinformatics
|
|
Drugs -- Design -- Data processing
|
|
Pharmacy informatics
|
| Form |
Electronic book
|
| Author |
Kumar, Ajay (Mechanical engineer), author.
|
|
Bharadwaj, Shiv, author
|
|
Chaudhary, Ravi, author
|
|
Sahi, Shakti, author
|
| ISBN |
9783319757322 |
|
3319757326 |
|
