Download Computational Drug Discovery: Molecular Simulation for Medicinal Chemistry 2024
Computational Drug Discovery: Molecular Simulation for Medicinal Chemistry book pdf download, Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics.
- Historical development of computer-aided drug design
- Lead-hit-based methods for drug design and ligand identification
- Virtual screening tools in ligand and receptor-based drug design
- State-of-the-art modeling techniques in performing docking algorithms
and scoring - Design of computational chiral compounds for drug discovery and
development - Role of integrated bioinformatics in structure-based drug design
- Molecular recognizable tools in X-ray crystallography in computer-aided
drug design - Design of target hit molecules using molecular dynamic simulations
- special key aspects of GROMACS or Role of molecular dynamic
- simulations in designing a hit molecule for drug discovery
- Computational prediction of drug-limited solubility and
CYP450-mediated biotransformation - Recent advancement in binding free-energy calculation
- Role of structural genomics in drug discovery
- Unlocking therapeutic potential: computational approaches for enzyme
inhibition discovery - Role of spectroscopy in drug discovery
- Computer-aided design of peptidomimetic therapeutics
- Developing safer therapeutic agents through toxicity prediction
- Identifying prominent molecular targets in the fight against drug
resistance
eBook details
- Author (s): Pooja A. Chawla, Dilpreet Singh, Kamal Dua
- Year of publication: 2024
- Publisher: De Gruyter
- Language: English
- ISBN: 3111206696, 9783111206691, 9783111207117, 9783111207599
- Pages: 440 pages
- Book format: PDF
- File size: 6 MB
