RECAP--retrosynthetic combinatorial analysis procedure: a powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry.
about
StreptomeDB: a resource for natural compounds isolated from Streptomyces speciesComputational methods in drug discoveryMinimal Pharmacophoric Elements and Fragment Hopping, an Approach Directed at Molecular Diversity and Isozyme Selectivity. Design of Selective Neuronal Nitric Oxide Synthase InhibitorsMolecular Shape and Medicinal Chemistry: A PerspectiveFragment-based lead discovery: screening and optimizing fragments for thermolysin inhibitionEstimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributionsSmiles2Monomers: a link between chemical and biological structures for polymersPrediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization processMiscellaneous Topics in Computer-Aided Drug Design: Synthetic Accessibility and GPU Computing, and Other TopicsDOGS: reaction-driven de novo design of bioactive compoundsFragIt: a tool to prepare input files for fragment based quantum chemical calculationsAfroDb: a select highly potent and diverse natural product library from African medicinal plantsPharmacophore modeling and in silico toxicity assessment of potential anticancer agents from African medicinal plantsParallel worlds of public and commercial bioactive chemistry dataAnalog series-based scaffolds: computational design and exploration of a new type of molecular scaffolds for medicinal chemistryIdentifying enriched drug fragments as possible candidates for metabolic engineeringSite-specific molecular design and its relevance to pharmacogenomics and chemical biology.Exploring chemical space for drug discovery using the chemical universe database.Matched molecular pair-based data sets for computer-aided medicinal chemistry.A minimalist approach to fragment-based ligand design using common rings and linkers: application to kinase inhibitors.Chemical substructures that enrich for biological activityScaffold diversity of natural products: inspiration for combinatorial library design.The multiple roles of computational chemistry in fragment-based drug design.FragmentStore--a comprehensive database of fragments linking metabolites, toxic molecules and drugs.Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.In silico fragment-based drug design using a PASS approach.Plane of best fit: a novel method to characterize the three-dimensionality of moleculesDesign and generation of highly diverse fluorinated fragment libraries and their efficient screening with improved (19) F NMR methodology.Template-based de novo design for type II kinase inhibitors and its extented application to acetylcholinesterase inhibitors.In silico approach towards identification of potential inhibitors of Helicobacter pylori DapE.Structural insight into tetrameric hTRPV1 from homology modeling, molecular docking, molecular dynamics simulation, virtual screening, and bioassay validations.Computer-aided drug discovery research at a global contract research organization.Break Down in Order To Build Up: Decomposing Small Molecules for Fragment-Based Drug Design with eMolFrag.Spresso: An ultrafast compound pre-screening method based on compound decomposition.Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5.In silico discovery of substituted pyrido[2,3-d]pyrimidines and pentamidine-like compounds with biological activity in myotonic dystrophy models.Docking, virtual high throughput screening and in silico fragment-based drug designThe beta-D-glucose scaffold as a beta-turn mimetic.ScafBank: a public comprehensive Scaffold database to support molecular hopping.Computational medicinal chemistry in fragment-based drug discovery: what, how and when.
P2860
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P2860
RECAP--retrosynthetic combinatorial analysis procedure: a powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry.
description
1998 nî lūn-bûn
@nan
1998 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
1998 թվականի մայիսին հրատարակված գիտական հոդված
@hy
1998年の論文
@ja
1998年論文
@yue
1998年論文
@zh-hant
1998年論文
@zh-hk
1998年論文
@zh-mo
1998年論文
@zh-tw
1998年论文
@wuu
name
RECAP--retrosynthetic combinat ...... ns in combinatorial chemistry.
@ast
RECAP--retrosynthetic combinat ...... ns in combinatorial chemistry.
@en
type
label
RECAP--retrosynthetic combinat ...... ns in combinatorial chemistry.
@ast
RECAP--retrosynthetic combinat ...... ns in combinatorial chemistry.
@en
prefLabel
RECAP--retrosynthetic combinat ...... ns in combinatorial chemistry.
@ast
RECAP--retrosynthetic combinat ...... ns in combinatorial chemistry.
@en
P2093
P356
P1476
RECAP--retrosynthetic combinat ...... ns in combinatorial chemistry.
@en
P2093
P304
P356
10.1021/CI970429I
P577
1998-05-01T00:00:00Z