東華大學圖書館 |

Language: English

Help

回圖書館首頁

手機版館藏查詢

Back

Switch To: Labeled | MARC Mode | ISBD

Computational methods for rational d...

Rudrapal, Mithun,

Linked to FindBook

Google Book

Amazon

博客來

Computational methods for rational drug design /

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Computational methods for rational drug design // edited by Mithun Rudrapal.
other author:	Rudrapal, Mithun,
Published:	Hoboken, New Jersey. :John Wiley & Sons, Inc., : c2025.,
Description:	xxviii, 546 p. :ill. (chiefly col.) ;26 cm.
[NT 15003449]:	Molecular modeling and drug design -- Bioactive small molecules and drug discovery -- Novel drug targets for small molecule-based drug discovery -- Computer-assisted methods and tools for structure- and ligand-based drug design -- Virtual screening and lead discovery -- ADMET and physicochemical assessments in drug design -- In silico modelling and drug design -- Pharmacophore modelling in drug design -- Scaffold hopping and de novo drug design -- Fragment-based drug design and drug discovery -- AI/ML approaches in drug design -- Network-based methods in drug discovery -- Rational design of natural products for drug discovery -- Rational design of enzyme inhibitors and drug discovery -- Rational design of peptides and protein molecules in drug discovery -- Rational design of drugs for neurodegenerative disorders -- Rational design of anti-inflammatory therapeutics -- Rational design of antibacterials for multi-drug resistant infections -- Rational design of antiviral therapeutics -- Rational design of anticancer therapeutics -- Protac and Protide strategies in drug design -- Advancing Lung Cancer Treatment Through ALK Receptor-Targeted Drug Metabolism and Pharmacokinetics -- Targeting Intrinsically Disordered Proteins (IDPs) in Drug Discovery : Opportunities and Challenges.
Subject:	Drugs - Design. -
ISBN:	9781394249169

Computational methods for rational drug design /
Computational methods for rational drug design /edited by Mithun Rudrapal. - Hoboken, New Jersey. :John Wiley & Sons, Inc.,c2025. - xxviii, 546 p. :ill. (chiefly col.) ;26 cm.

Includes bibliographical references and index.

Molecular modeling and drug design -- Bioactive small molecules and drug discovery -- Novel drug targets for small molecule-based drug discovery -- Computer-assisted methods and tools for structure- and ligand-based drug design -- Virtual screening and lead discovery -- ADMET and physicochemical assessments in drug design -- In silico modelling and drug design -- Pharmacophore modelling in drug design -- Scaffold hopping and de novo drug design -- Fragment-based drug design and drug discovery -- AI/ML approaches in drug design -- Network-based methods in drug discovery -- Rational design of natural products for drug discovery -- Rational design of enzyme inhibitors and drug discovery -- Rational design of peptides and protein molecules in drug discovery -- Rational design of drugs for neurodegenerative disorders -- Rational design of anti-inflammatory therapeutics -- Rational design of antibacterials for multi-drug resistant infections -- Rational design of antiviral therapeutics -- Rational design of anticancer therapeutics -- Protac and Protide strategies in drug design -- Advancing Lung Cancer Treatment Through ALK Receptor-Targeted Drug Metabolism and Pharmacokinetics -- Targeting Intrinsically Disordered Proteins (IDPs) in Drug Discovery : Opportunities and Challenges.

"Drug design is the process of finding new medications based on the knowledge of a biological target. In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the molecular target with which they interact and bind. Frequently, it relies on computer modeling techniques and bioinformatics approaches. In addition to small molecules, biopharmaceuticals and especially peptide-based therapeutics are an increasingly important class of drugs and computational methods for improving the affinity, selectivity, and stability of these protein-based therapeutics have also gained great advances"--

ISBN: 9781394249169US255.95

LCCN: 2024045117Subjects--Topical Terms:

664528
Drugs
--Design.

LC Class. No.: RM301.25 / .C66

Dewey Class. No.: 615.1/9

Computational methods for rational drug design /
LDR:02745cam a2200241 a 4500 001 2423726
005 20250607131456.1
008 260520s2025 njua b 001 0 eng
010 $a 2024045117
020 $a 9781394249169 $q (hbk.) : $c US255.95
020 $a 1394249160 $q (hbk.)
020 $z 9781394249183 $q (epdf)
020 $z 1394249187 $q (epdf)
020 $z 9781394249176 $q (epub)
020 $z 1394249179 $q (epub)
040 $a DNLM/DLC $b eng $c DLC $d DLC
050 0 0 $a RM301.25 $b .C66
082 0 0 $a 615.1/9 $2 23/eng/20241009
245 0 0 $a Computational methods for rational drug design / $c edited by Mithun Rudrapal.
260 # $a Hoboken, New Jersey. : $b John Wiley & Sons, Inc., $c c2025.
300 $a xxviii, 546 p. : $b ill. (chiefly col.) ; $c 26 cm.
504 $a Includes bibliographical references and index.
505 0 # $a Molecular modeling and drug design -- Bioactive small molecules and drug discovery -- Novel drug targets for small molecule-based drug discovery -- Computer-assisted methods and tools for structure- and ligand-based drug design -- Virtual screening and lead discovery -- ADMET and physicochemical assessments in drug design -- In silico modelling and drug design -- Pharmacophore modelling in drug design -- Scaffold hopping and de novo drug design -- Fragment-based drug design and drug discovery -- AI/ML approaches in drug design -- Network-based methods in drug discovery -- Rational design of natural products for drug discovery -- Rational design of enzyme inhibitors and drug discovery -- Rational design of peptides and protein molecules in drug discovery -- Rational design of drugs for neurodegenerative disorders -- Rational design of anti-inflammatory therapeutics -- Rational design of antibacterials for multi-drug resistant infections -- Rational design of antiviral therapeutics -- Rational design of anticancer therapeutics -- Protac and Protide strategies in drug design -- Advancing Lung Cancer Treatment Through ALK Receptor-Targeted Drug Metabolism and Pharmacokinetics -- Targeting Intrinsically Disordered Proteins (IDPs) in Drug Discovery : Opportunities and Challenges.
520 # $a "Drug design is the process of finding new medications based on the knowledge of a biological target. In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the molecular target with which they interact and bind. Frequently, it relies on computer modeling techniques and bioinformatics approaches. In addition to small molecules, biopharmaceuticals and especially peptide-based therapeutics are an increasingly important class of drugs and computational methods for improving the affinity, selectivity, and stability of these protein-based therapeutics have also gained great advances"-- $c Provided by publisher.
650 # 0 $a Drugs $x Design. $3 664528
650 1 2 $a Drug Design $v Congresses. $3 867738
650 2 2 $a Models, Molecular $3 3812595
700 1 # $a Rudrapal, Mithun, $e editor. $3 3812594