FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects.
about
Open Babel: An open chemical toolboxComputational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitorsCan Invalid Bioactives Undermine Natural Product-Based Drug Discovery?Advances in computationally modeling human oral bioavailabilityChemical libraries dedicated to protein-protein interactionswwLigCSRre: a 3D ligand-based server for hit identification and optimizationDesigning focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methodsIdentification of human IKK-2 inhibitors of natural origin (part I): modeling of the IKK-2 kinase domain, virtual screening and activity assaysTyrosine kinase syk non-enzymatic inhibitors and potential anti-allergic drug-like compounds discovered by virtual and in vitro screeningIdentification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (part I): virtual screening and activity assaysIdentification of PPARgamma partial agonists of natural origin (I): development of a virtual screening procedure and in vitro validationIdentification of PPARgamma partial agonists of natural origin (II): in silico prediction in natural extracts with known antidiabetic activityInsights into an original pocket-ligand pair classification: a promising tool for ligand profile predictionLooking back to the future: predicting in vivo efficacy of small molecules versus Mycobacterium tuberculosisMultivariate PLS Modeling of Apicomplexan FabD-Ligand Interaction Space for Mapping Target-Specific Chemical Space and Pharmacophore FingerprintsOpen Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery DatasetsRedefining Cheminformatics with Intuitive Collaborative Mobile AppsComputational prediction and validation of an expert's evaluation of chemical probesComputational methods in drug discovery.Investigating the Importance of the Pocket-estimation Method in Pocket-based Approaches: An Illustration Using Pocket-ligand Classification.Identification of an in vivo orally active dual-binding protein-protein interaction inhibitor targeting TNFα through combined in silico/in vitro/in vivo screeningDG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screeningLimited options for low-global-warming-potential refrigerants.A molecular modeling based screening for potential inhibitors to alpha hemolysin from Staphylococcus aureusp-TSA-promoted syntheses of 5H-benzo[h] thiazolo[2,3-b]quinazoline and indeno[1,2-d] thiazolo[3,2-a]pyrimidine analogs: molecular modeling and in vitro antitumor activity against hepatocellular carcinoma.Utilization of Boron Compounds for the Modification of Suberoyl Anilide Hydroxamic Acid as Inhibitor of Histone Deacetylase Class II Homo sapiens.Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimization.Structure-based virtual screening for drug discovery: principles, applications and recent advances.Molecular docking based screening of predicted potential inhibitors for VP40 from Ebola virus.Kinase Inhibitors that Increase the Sensitivity of Methicillin Resistant Staphylococcus aureus to β-Lactam Antibiotics.Molecular docking studies of 3-bromopyruvate and its derivatives to metabolic regulatory enzymes: Implication in designing of novel anticancer therapeutic strategies.Molecular docking based virtual screening of compounds for inhibiting sortase A in L.monocytogenes.Indole-fused benzooxazepines: a new structural class of anticancer agents.Role of computer-aided drug design in modern drug discovery.Receptor-ligand molecular docking.De novo design of VEGFR-2 tyrosine kinase inhibitors based on a linked-fragment approach.Computational Biology and Chemistry in MTi: Emphasis on the Prediction of Some ADMET Properties.Molecular docking based screening of Listeriolysin-O for improved inhibitors.Identification of small-molecule inhibitors against SecA by structure-based virtual ligand screening.Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
P2860
Q21198766-502E97EE-6C60-474D-824B-5A4A56FE61CEQ26777448-74A38A1E-1C65-4EDD-BDDE-F3E3EE3E9009Q26778522-1BE5E965-B868-4FF2-878C-68F003F5B371Q27008316-ACDD1863-9C4C-4BE8-A899-45B9926146FFQ27010681-7DD4DD14-2A22-4B6C-9CCF-82492DF7193EQ28244457-9C5BF4C7-4D89-489C-93B0-E2112FB94029Q28473098-3F44B77C-318E-4B6B-A680-3E211B50601CQ28477268-5B9C5E8C-F60E-4632-A193-23623EB24AE8Q28478649-A394B298-55F6-4952-ACC4-0DAB5AE01287Q28483681-27A78520-E4AB-4804-AD93-5A2937320717Q28485402-97F0B0FC-3F87-4567-ADA1-B10F986EE16AQ28486003-A686E25A-BBBE-4EB5-85F0-A31C1FF72400Q28534051-567326B5-D190-4A82-9197-3242C49FAF99Q28538272-2AAC7E8A-045B-4DF3-BDC8-ED06C8AC7CF1Q28550655-7B08555D-C3BF-4145-9D41-28DFE204C163Q28647980-7E870FC6-A521-49DE-B25C-05A6BE96A202Q28710562-726CCF1E-E61B-47CD-A00A-E6E67646E6E4Q28829404-A6CA7930-7C08-45FD-9AF1-BA08D2415E90Q30398071-06AF018C-B9E4-4E39-B666-5C8F0CD01BE6Q30401476-CD33773A-B338-4397-99FF-EDEC8392B8A1Q30855659-D8D18526-E4BA-45E0-8F38-4C2F8FD3ED66Q30884784-330E2EFF-7592-48B7-86C1-0BDA90B29BEEQ31162771-5423A893-4F7D-4716-8A5F-8D75CFA36F60Q33426334-92CD6970-C136-4087-B371-5AFE0C96F7C5Q33766553-E3063465-B0D7-4AE7-9BD8-2B5BA4F5970CQ34151939-C49091F5-0D2D-43B0-BD37-1F9DF57F7B5FQ34360291-E06E04F1-B762-46C9-9A8A-2A7C026460AEQ35282223-AB73D4AB-6F1A-4FEB-9AB6-CF48D0C88644Q35678240-76547C78-5AA6-419A-9A4D-885623E4976EQ35823106-00927424-E54D-4501-B4F0-2D8060DE9B66Q36360728-67E0C8AE-2FA4-4E9E-863D-B3896DCC5934Q36564369-4B6DCFA8-0BAB-4F85-A2D4-501AB9388793Q37701753-7BFF6255-5DDE-4F9E-BACB-8C695564B879Q38553677-A0A3B80A-AC4B-4955-A14A-191B1D93AC16Q38783140-F521E32D-DD84-4342-86D7-B980ACE96C2DQ38828068-08CD0263-5463-4881-BD91-05AA83A61A1BQ38950578-7EA7B9BD-2754-49C0-A935-7D851DB958DEQ40955927-CC84CBC9-BD51-4370-A972-397608233892Q41216402-6C7AD64B-C623-425D-A0A2-DE1F47D359C3Q41343506-C47A385D-9F16-4F6C-8009-831FCE5B256A
P2860
FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects.
description
2008 nî lūn-bûn
@nan
2008 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.
@ast
FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.
@en
type
label
FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.
@ast
FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.
@en
prefLabel
FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.
@ast
FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.
@en
P2093
P2860
P50
P356
P1433
P1476
FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.
@en
P2093
Bruno O Villoutreix
David Lagorce
Hervé Galons
P2860
P2888
P356
10.1186/1471-2105-9-396
P577
2008-09-24T00:00:00Z
P5875
P6179
1038774576