Molecular complexity and its impact on the probability of finding leads for drug discovery.
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Physiology and pharmacology of the vanilloid receptorProcess of Fragment-Based Lead Discovery-A Perspective from NMRNavigating the Chemical Space of Multitarget-Directed Ligands: From Hybrids to Fragments in Alzheimer's DiseaseModeling enzyme-ligand binding in drug discoveryThree-dimensional compound comparison methods and their application in drug discoveryRational approaches to improving selectivity in drug designComputational methods in drug discoveryBadapple: promiscuity patterns from noisy evidence.Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-LactamaseMolecular docking and ligand specificity in fragment-based inhibitor discoveryA Structure-Based Approach to Ligand Discovery for 2 C -Methyl- d -erythritol-2,4-cyclodiphosphate Synthase: A Target for Antimicrobial Therapy †Impact of linker strain and flexibility in the design of a fragment-based inhibitorDocking for fragment inhibitors of AmpC -lactamasePredicting Ligand Binding Affinity with Alchemical Free Energy Methods in a Polar Model Binding SiteThermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitorsMolecular Shape and Medicinal Chemistry: A PerspectiveLeveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomalleiFragment-guided design of subnanomolar -lactamase inhibitors active in vivoFragment-Based Screening for Inhibitors of PDE4A Using Enthalpy Arrays and X-ray CrystallographyThe Impact of Introducing a Histidine into an Apolar Cavity Site on Docking and Ligand RecognitionElectrophilic Fragment-Based Design of Reversible Covalent Kinase InhibitorsScaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitors4-Acyl pyrroles: mimicking acetylated lysines in histone code readingRational methods for the selection of diverse screening compoundsHigh-performance drug discovery: computational screening by combining docking and molecular dynamics simulationsGlobal analysis of small molecule binding to related protein targetsWhat can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics?Drug Promiscuity in PDB: Protein Binding Site Similarity Is KeyIdentification of semicarbazones, thiosemicarbazones and triazine nitriles as inhibitors of Leishmania mexicana cysteine protease CPBKnowledge-based fragment binding predictionACFIS: a web server for fragment-based drug discoveryFragment Screening of Human Aquaporin 1A crowdsourcing evaluation of the NIH chemical probesZINC: a free tool to discover chemistry for biologySmall-molecule inhibitors of protein-protein interactions: progressing towards the dreamPrivileged Structures Revisited.A poke in the eye: inhibiting HIV-1 protease through its flap-recognition pocketDocking screens: right for the right reasons?Natural products as starting points for future anti-malarial therapies: going back to our roots?Molecular complexity determines the number of olfactory notes and the pleasantness of smells.
P2860
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P2860
Molecular complexity and its impact on the probability of finding leads for drug discovery.
description
2001 nî lūn-bûn
@nan
2001 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Molecular complexity and its i ...... ding leads for drug discovery.
@ast
Molecular complexity and its i ...... ding leads for drug discovery.
@en
type
label
Molecular complexity and its i ...... ding leads for drug discovery.
@ast
Molecular complexity and its i ...... ding leads for drug discovery.
@en
prefLabel
Molecular complexity and its i ...... ding leads for drug discovery.
@ast
Molecular complexity and its i ...... ding leads for drug discovery.
@en
P2093
P356
P1476
Molecular complexity and its i ...... ding leads for drug discovery.
@en
P2093
P304
P356
10.1021/CI000403I
P577
2001-05-01T00:00:00Z