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020			_a9781394249190 _qelectronic
024	7		_a10.1002/9781394249190 _2doi
040			_aTR-AnTOB _beng _erda _cTR-AnTOB
041	0		_aeng
060			_aQV 745 _bC738 2025
096			_aQV 745 _bC738 2025EBK
245	0	0	_aComputationalmethods for rational drug design / _h[electronic resource] _cedited by Mithun Rudrapal.
264		1	_aHoboken : _bWiley, _c2025.
300			_a1 online resource (xxviii, 546 pages)
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
347			_atext file _2rdaft
347			_bPDF
520			_aComprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease examples Computational Methods for Rational Drug Design covers the tools and techniques of drug design with applications to the discovery of small molecule-based therapeutics, detailing methodologies and practical applications and addressing the challenges of techniques like AI/ML and drug design for unknown receptor structures. Divided into 23 chapters, the contributors address various cutting-edge areas of therapeutic importance such as neurodegenerative disorders, cancer, multi-drug resistant bacterial infections, inflammatory diseases, and viral infections. Edited by a highly qualified academic with significant research contributions to the field, Computational Methods for Rational Drug Design explores topics including: Computer-assisted methods and tools for structure- and ligand-based drug design, virtual screening and lead discovery, and ADMET and physicochemical assessments In silico and pharmacophore modeling, fragment-based design, de novo drug design and scaffold hopping, network-based methods and drug discovery Rational design of natural products, peptides, enzyme inhibitors, drugs for neurodegenerative disorders, anti-inflammatory therapeutics, antibacterials for multi-drug resistant infections, and antiviral and anticancer therapeutics Protac and protide strategies in drug design, intrinsically disordered proteins (IDPs) in drug discovery and lung cancer treatment through ALK receptor-targeted drug metabolism and pharmacokinetics Helping readers seamlessly navigate the challenges of drug design, Computational Methods for Rational Drug Design is an essential reference for pharmaceutical and medicinal chemists, biochemists, pharmacologists, and phytochemists, along with molecular modeling and computational drug discovery professionals.
650		4	_aDrug Discovery & Development
650		4	_aComputational Chemistry & Molecular Modeling
650		4	_aEnzymes & Receptors
653	0	0	_adrug discovery; structure-based drug design; ligand-based drug design; virtual screening; lead discovery; ADMET; pharmacophore modeling; de novo drug design; scaffold hopping; fragment-based drug design; protac; protide; peptides; natural products; enzyme inhibitors; neurodegenerative disorders; cancer, bacterial infections; viral infections
655		7	_aElectronic books _2local _92032
700	1		_aRudrapal, Mithun _4editor
776	0	8	_iPrinted edition: _z9781394249169
856	4	0	_uhttps://onlinelibrary.wiley.com/action/showBook?doi=10.1002%2F9781394249190 _aWiley Online Library
856	4	2	_3Cover Image _uhttps://onlinelibrary.wiley.com/cms/asset/a5b904ee-11ba-400e-bdd1-91bc1fba025d/9781394249190.cover.gif _aWiley Online Library
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