CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures
about
Recognizing chemicals in patents: a comparative analysisJmol SMILES and Jmol SMARTS: specifications and applicationsMany InChIs and quite some featOpen source molecular modelingUsage and applications of Semantic Web techniques and technologies to support chemistry researchModelling temperature-dependent properties of polymorphic organic molecular crystals.Semantic querying of relational data for clinical intelligence: a semantic web services-based approach.Protein Data Bank Japan (PDBj): updated user interfaces, resource description framework, analysis tools for large structuresImmersive virtual reality in computational chemistry: Applications to the analysis of QM and MM dataLimited options for low-global-warming-potential refrigerants.iDrug: a web-accessible and interactive drug discovery and design platform.Unique identifiers for small molecules enable rigorous labeling of their atoms.High conductance values in π-folded molecular junctions.Computational prediction of microRNA networks incorporating environmental toxicity and disease etiology.Computational study on substrate specificity of a novel cysteine protease 1 precursor from Zea maysWeb services-based text-mining demonstrates broad impacts for interoperability and process simplification.Chemical entity extraction using CRF and an ensemble of extractors.Computational identification and binding analysis of orphan human cytochrome P450 4X1 enzyme with substrates.SerpentinaDB: a database of plant-derived molecules of Rauvolfia serpentina.Resistance related metabolic pathways for drug target identification in Mycobacterium tuberculosis.Phytochemica: a platform to explore phytochemicals of medicinal plants.wFReDoW: a cloud-based web environment to handle molecular docking simulations of a fully flexible receptor model.An in silico algorithm for identifying stabilizing pockets in proteins: test case, the Y220C mutant of the p53 tumor suppressor protein.Insights into a key sulfite scavenger enzyme sulfite oxidase (SOX) gene in plants.Homology modeling, molecular dynamic simulation, and docking based binding site analysis of human dopamine (D4) receptor.Assessment of the interaction procedure between Pt(IV) prodrug [Pt(5,5'-dmbpy)Cl4 and human serum albumin: Combination of spectroscopic and molecular modeling technique.In Silico Prediction of Mechanism of Action for Cancer Therapeutics.Small Molecule Identification with MOLGEN and Mass Spectrometry.Metabolite Identification through Machine Learning- Tackling CASMI Challenge Using FingerIDDissecting active ingredients of Chinese medicine by content-weighted ingredient-target network.Novel potential inhibitors for adenylylsulfate reductase to control souring of water in oil industries.Identification of chlamydial T3SS inhibitors through virtual screening against T3SS ATPase.Catalytic enantioselective acyl transfer: the case for 4-PPY with a C-3 carboxamide peptide auxiliary based on synthesis and modelling studies.On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies.Collision cross sections and ion structures: development of a general calculation method via high-quality ion mobility measurements and theoretical modeling.pyEFP: Automatic decomposition of the complex molecular systems into rigid polarizable fragments.Identification of small-molecule inhibitors of calcineurin-NFATc signaling that mimic the PxIxIT motif of calcineurin binding partners.Molecular modeling and spectroscopic studies of semustine binding with DNA and its comparison with lomustine-DNA adduct formation.Souring control in fluid samples of oil industry using a multiple ligand simultaneous docking (MLSD) strategy.Adaptive neuro-fuzzy inference system-applied QSAR with bond dissociation energy for antioxidant activities of phenolic compounds.
P2860
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CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures
description
2011 nî lūn-bûn
@nan
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
2011年论文
@zh
2011年论文
@zh-cn
name
CurlySMILES: a chemical langua ...... ular and nanodevice structures
@en
type
label
CurlySMILES: a chemical langua ...... ular and nanodevice structures
@en
prefLabel
CurlySMILES: a chemical langua ...... ular and nanodevice structures
@en
P2860
P356
P1476
CurlySMILES: a chemical langua ...... ular and nanodevice structures
@en
P2093
Axel Drefahl
P2860
P2888
P356
10.1186/1758-2946-3-1
P577
2011-01-07T00:00:00Z
P5875
P6179
1046291939