Bioinformatics techniques for drug discovery : applications for complex diseases /: applications for complex diseases. ([2018])

• Record Type: Book
• Further Information: Note: Aman Chandra Kaushik, Ajay Kumar, Shiv Bharadwaj, Ravi Chaudhary, Shakti Sahi.
• Authors: Kaushik, Aman Chandra; Kumar, Ajay; Bharadwaj, Shiv; Chaudhary, Ravi; Sahi, Shakti
• 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
• Publisher Details: Cham, Switzerland : Springer
• Publication Date: 2018
• Extent: 1 online resource
• Subjects: 615.1/900285; Computer science; Drugs -- Design -- Data processing; Bioinformatics; Pharmacy informatics; MEDICAL / Pharmacology; Computer Science; Computational Biology/Bioinformatics; Systems Biology; Pharmacology/Toxicology; Bioinformatics; Drugs -- Design -- Data processing; Pharmacy informatics; Science -- Life Sciences -- General; Medical -- Pharmacology; Life sciences: general issues; Pharmacology; Biological models; Toxicology; Computers -- Computer Science; Electronic books
• Languages: English
• ISBNs: 9783319757322; 3319757326
• Related ISBNs: 9783319757315; 3319757318
• Notes: Note: Includes bibliographical references.; Note: Online resource; title from PDF title page (SpringerLink, viewed May 3, 2018).
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.