Virtual screening and its integration with modern drug design technologies.
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Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteinsHit identification and optimization in virtual screening: practical recommendations based on a critical literature analysisSWEETLEAD: an in silico database of approved drugs, regulated chemicals, and herbal isolates for computer-aided drug discoveryChallenges and opportunities for new protein crystallization strategies in structure-based drug design.Fast and automated functional classification with MED-SuMo: an application on purine-binding proteins.Identification of a small molecule that modulates platelet glycoprotein Ib-von Willebrand factor interactionSulfated small molecules targeting eBV in Burkitt lymphoma: from in silico screening to the evidence of in vitro effect on viral episomal DNA.Virtual screening of chemical libraries for drug discovery.Structure-based discovery of low molecular weight compounds that stimulate neurite outgrowth and substitute for nerve growth factorAntimicrobial activity and cytotoxicity of some 2-amino-5-alkylidene-thiazol-4-ones.Investigating combinatorial approaches in virtual screening on human inducible 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFKFB3): a case study for small molecule kinases.Structure-based virtual screening for drug discovery: principles, applications and recent advances.Enumeration method for tree-like chemical compounds with benzene rings and naphthalene rings by breadth-first search order.Pharmacophore Alignment Search Tool (PhAST): Significance Assessment of Chemical Similarity.Analysis of HSP90-related folds with MED-SuMo classification approach.Advancement of structure-activity relationship of multidrug resistance-associated protein 2 interactions.Biasing conformational ensembles towards bioactive-like conformers for ligand-based drug design.Arginine-based inhibitors of nitric oxide synthase: therapeutic potential and challenges.High-throughput and in silico screenings in drug discovery.Discovery of novel inhibitors for human intestinal maltase: virtual screening in a WISDOM environment and in vitro evaluation.The potential role of in silico approaches to identify novel bioactive molecules from natural resources.The preclinical discovery and development of brexpiprazole for the treatment of major depressive disorder.Use of machine learning approaches for novel drug discovery.Revealing protein networks and gene-drug connectivity in cancer from direct information.Understanding PPAR-δ affinity and selectivity using hologram quantitative structure-activity modeling, molecular docking and GRID calculations.Improving scoring-docking-screening powers of protein-ligand scoring functions using random forest.A pharmacophore-based virtual screening approach for the discovery of Trypanosoma cruzi GAPDH inhibitors.Virtual screening to identify lead inhibitors for bacterial NAD synthetase (NADs).In vitro evaluation of novel inhibitors against the NS2B-NS3 protease of dengue fever virus type 4.Identification of Potential PPAR γ Agonists as Hypoglycemic Agents: Molecular Docking Approach.Fragment-based QSAR strategies in drug design.Lose weight with traditional chinese medicine? Potential suppression of fat mass and obesity-associated protein.LigDockCSA: protein-ligand docking using conformational space annealing.The identification of new ATAD2 bromodomain inhibitors: the application of combined ligand and structure-based virtual screening.Transfer and Multi-task Learning in QSAR Modeling: Advances and Challenges.Virtual Screening for HIV Protease Inhibitors Using a Novel Database Filtering Procedure.Footprinting of inhibitor interactions of in silico identified inhibitors of trypanothione reductase of Leishmania parasite.Virtual screening for novel Atg5–Atg16 complex inhibitors for autophagy modulation
P2860
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Virtual screening and its integration with modern drug design technologies.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on January 2008
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Virtual screening and its integration with modern drug design technologies.
@en
Virtual screening and its integration with modern drug design technologies.
@nl
type
label
Virtual screening and its integration with modern drug design technologies.
@en
Virtual screening and its integration with modern drug design technologies.
@nl
prefLabel
Virtual screening and its integration with modern drug design technologies.
@en
Virtual screening and its integration with modern drug design technologies.
@nl
P1476
Virtual screening and its integration with modern drug design technologies
@en
P2093
Adriano D Andricopulo
Glaucius Oliva
P356
10.2174/092986708783330683
P577
2008-01-01T00:00:00Z