about
Avogadro: an advanced semantic chemical editor, visualization, and analysis platformProspecting for novel plant-derived molecules of Rauvolfia serpentina as inhibitors of Aldose Reductase, a potent drug target for diabetes and its complicationsKNIME-CDK: Workflow-driven cheminformaticsThe eNanoMapper database for nanomaterial safety informationStreptomeDB: a resource for natural compounds isolated from Streptomyces speciesStructure-based discovery of the novel antiviral properties of naproxen against the nucleoprotein of influenza A virus.Cheaper faster drug development validated by the repositioning of drugs against neglected tropical diseases.Identification and Characterization of Novel Broad-Spectrum Inhibitors of the Flavivirus MethyltransferaseThe relevance of piroxicam for the prevention and treatment of nonmelanoma skin cancer and its precursorsCharting a Path to Success in Virtual ScreeningCommon Amino Acid Subsequences in a Universal Proteome--Relevance for Food ScienceWeb tools for predictive toxicology model buildingCheminformaticsThe IUPHAR/BPS Guide to PHARMACOLOGY: an expert-driven knowledgebase of drug targets and their ligandsEC-BLAST: a tool to automatically search and compare enzyme reactionsInnovative Strategies to Develop Chemical Categories Using a Combination of Structural and Toxicological Properties.Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes.Discovery of anthelmintic drug targets and drugs using chokepoints in nematode metabolic pathwaysIn silico prediction of mutant HIV-1 proteases cleaving a target sequenceUsing existing drugs as leads for broad spectrum anthelmintics targeting protein kinasesStructural Basis for Substrate Targeting and Catalysis by Fungal Polysaccharide MonooxygenasesCrystal Structure of a Bacterial Unsaturated Glucuronyl Hydrolase with Specificity for HeparinDimeric Sfh3 has structural changes in its binding pocket that are associated with a dimer-monomer state transformation induced by substrate bindingIdentification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug designInsights into the structure and function of fungal β-mannosidases from glycoside hydrolase family 2 based on multiple crystal structures of the Trichoderma harzianum enzymeTCMSP: a database of systems pharmacology for drug discovery from herbal medicinesCytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiersInsights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculationsA New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core DomainChemozart: a web-based 3D molecular structure editor and visualizer platformSmiles2Monomers: a link between chemical and biological structures for polymersChemDes: an integrated web-based platform for molecular descriptor and fingerprint computationFiltered circular fingerprints improve either prediction or runtime performance while retaining interpretabilityDRABAL: novel method to mine large high-throughput screening assays using Bayesian active learningLigand cluster-based protein network and ePlatton, a multi-target ligand finderCheS-Mapper 2.0 for visual validation of (Q)SAR modelsSANCDB: a South African natural compound databaseOpen Drug Discovery Toolkit (ODDT): a new open-source player in the drug discovery fieldCalculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pocketsThe Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets
P2860
Q21092922-71641F0F-9A79-42A2-B9B9-7534EC189F69Q21133564-6BA303F1-3BCB-4049-A681-B209B29DFFC2Q21284307-82E9E1DD-7598-4F12-B4B9-8803DECFFB79Q24188395-7280167F-2220-42BA-9E30-B1070E3D0FFDQ24595628-D1AB8A47-8BAE-4D51-B203-B33916013F5DQ24632337-FB83485D-6709-4A8E-97B7-905D2FCBBC33Q24810481-E642F537-C8F8-47F5-964E-FF0400BA9155Q26700125-2FE26F13-0BA2-449E-8166-58738F32E1C6Q26775913-7D06ACC7-9BF9-4DA6-92FC-B41A88F46854Q26779035-52DB00D0-B2C1-468A-A572-7ECB9EFD80D4Q26784209-7EEFD679-8635-4E61-BDBC-0F21F7A124D5Q27010340-7D26CD54-B735-4C66-852C-FB760C0D4FC1Q27134862-0049e3a5-4467-b711-a202-1702ddc0f91bQ27136827-6079FD22-FC6F-423A-AA0F-D36DF3D8B01AQ27162921-0FFB7D45-3508-49F8-8A4C-D4A27C694FB4Q27308002-9D9A6760-316C-4CCA-951E-797D11BED2A7Q27321466-C0B32318-CCBB-4ACA-95B9-BC1B666FE089Q27334315-4C18581A-5471-41F8-9D6B-9E8447CD33DFQ27335448-5286C6BA-D2F5-4E6F-9930-5F6F787B14A1Q27336465-D5364615-A8F2-4695-AB11-A7F43F8CC43EQ27679023-F0C465AB-91CC-45DB-8A64-46CD150C1883Q27681236-8A047B0B-6513-4F3F-823B-5E5FB09E6B9FQ27684224-8CBFDDF6-0ADF-4FDE-AD67-38938EBB7E17Q27689445-F183458C-11E4-4BEA-83D3-FB9FB8792DF2Q27690808-019EBABD-E1F0-48DF-90CC-B1A0FF917A4FQ27703005-2CA2F0A8-0617-485E-B24A-BAF5D4A6764EQ27703034-A39726B1-9F70-40CA-8D5B-0934D9C596F0Q27703595-90FA9A15-DB69-43D8-9C65-D88F789A6FF3Q27728086-17CF6577-43FE-495D-97AD-88B07B3431BDQ27902242-1A393913-BA82-4FAE-A913-97F139F74472Q27902246-621D5E5A-9685-45B2-8404-1C653E4A8EF3Q27902247-C1EFCF20-E375-436F-A508-03D061AC4336Q27902259-A13EA8B8-35C2-4FB7-A9B6-6D71C64DC710Q27902260-5B26508B-1363-4266-9E90-301C7946B169Q27902267-4116B054-59EB-40E4-8E80-7B79B05C3B72Q27902276-71CBB8F8-BF6F-4DB1-AF48-E10D6DC2CCDCQ27902290-F3201BE6-FD77-42C6-8901-A44928BFB0B1Q27902292-21857ED6-661C-475A-8110-AEED4C921C68Q27902293-95B4BC3F-8317-484B-9A3B-76F904EF9314Q27902301-DAB70564-7100-441F-9756-D745E15185D2
P2860
description
2011 nî lūn-bûn
@nan
2011 թուականին հրատարակուած գիտական յօդուած
@hyw
2011 թվականին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Open Babel: An open chemical toolbox
@ast
Open Babel: An open chemical toolbox
@en
Open Babel: An open chemical toolbox
@en-gb
Open Babel: An open chemical toolbox
@nl
type
label
Open Babel: An open chemical toolbox
@ast
Open Babel: An open chemical toolbox
@en
Open Babel: An open chemical toolbox
@en-gb
Open Babel: An open chemical toolbox
@nl
prefLabel
Open Babel: An open chemical toolbox
@ast
Open Babel: An open chemical toolbox
@en
Open Babel: An open chemical toolbox
@en-gb
Open Babel: An open chemical toolbox
@nl
P2860
P50
P921
P3181
P356
P1476
Open Babel: An open chemical toolbox
@en
P2093
Chris Morley
Craig A James
P2860
P2888
P3181
P356
10.1186/1758-2946-3-33
P407
P577
2011-01-01T00:00:00Z
P5875
P6179
1013008269