Molecular docking of intercalators and groove-binders to nucleic acids using Autodock and Surflex.
about
Anti-Japanese-encephalitis-viral effects of kaempferol and daidzin and their RNA-binding characteristicsInsight into the interactions between novel isoquinolin-1,3-dione derivatives and cyclin-dependent kinase 4 combining QSAR and molecular dockingVoteDock: consensus docking method for prediction of protein-ligand interactions.Discovery of novel triple helical DNA intercalators by an integrated virtual and actual screening platform.Novel insights of structure-based modeling for RNA-targeted drug discovery.Conformational preference of 'CαNN' short peptide motif towards recognition of anions.A Discovery Funnel for Nucleic Acid Binding Drug CandidatesThe binding modes of cationic porphyrin-anthraquinone hybrids to DNA duplexes: in silico study.Structure-based drug design: from nucleic acid to membrane protein targets.Molecular docking and dynamics simulations on the interaction of cationic porphyrin-anthraquinone hybrids with DNA G-quadruplexes.Designed compounds for recognition of 10 base pairs of DNA with two at binding sites.Prediction and evaluation of the lipase inhibitory activities of tea polyphenols with 3D-QSAR modelsComputational docking simulations of a DNA-aptamer for argininamide and related ligands.Aminoglycoside binding to Oxytricha nova telomeric DNA.In-silico modeling studies of G-quadruplex with soy isoflavones having anticancerous activity.New molecular insights into the tyrosyl-tRNA synthase inhibitors: CoMFA, CoMSIA analyses and molecular docking studies.Carborane clusters in computational drug design: a comparative docking evaluation using AutoDock, FlexX, Glide, and SurflexStructure-dependent binding of arylimidamides to the DNA minor groove.Exploring the binding features of polybrominated diphenyl ethers as estrogen receptor antagonists: docking studies.Evidence for the contribution of non-covalent steroid interactions between DNA and topoisomerase in the genotoxicity of steroids.Exploration of interaction of canthaxanthin with human serum albumin by spectroscopic and molecular simulation methods.Pentachlorophenol molecule design with lower bioconcentration through 3D-QSAR associated with molecule docking.In Silico Analysis of the Association Relationship between Neuroprotection and Flavors of Traditional Chinese Medicine Based on the mGluRs.Molecular Modeling Studies of 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitors through Receptor-Based 3D-QSAR and Molecular Dynamics Simulations.Validation of a computational docking methodology to identify the non-covalent binding site of ligands to DNA.A spectral deciphering of the binding interaction of an intramolecular charge transfer fluorescence probe with a cationic protein: thermodynamic analysis of the binding phenomenon combined with blind docking study.Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database.Differential binding of 2'-biotinylated analogs of c-di-GMP with c-di-GMP riboswitches and binding proteins.Molecular simulation studies on the binding selectivity of 2-anilino-4-(thiazol-5-yl)-pyrimidines in complexes with CDK2 and CDK7.Relationship between the binding free energy and PCBs' migration, persistence, toxicity and bioaccumulation using a combination of the molecular docking method and 3D-QSAR.G-quadruplex virtual drug screening: A reviewMolecular basis of inhibitory activities of berberine against pathogenic enzymes in Alzheimer's disease
P2860
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P2860
Molecular docking of intercalators and groove-binders to nucleic acids using Autodock and Surflex.
description
2008 nî lūn-bûn
@nan
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
2008年论文
@zh
2008年论文
@zh-cn
name
Molecular docking of intercala ...... ds using Autodock and Surflex.
@en
Molecular docking of intercala ...... ds using Autodock and Surflex.
@nl
type
label
Molecular docking of intercala ...... ds using Autodock and Surflex.
@en
Molecular docking of intercala ...... ds using Autodock and Surflex.
@nl
prefLabel
Molecular docking of intercala ...... ds using Autodock and Surflex.
@en
Molecular docking of intercala ...... ds using Autodock and Surflex.
@nl
P2860
P356
P1476
Molecular docking of intercala ...... ds using Autodock and Surflex.
@en
P2093
John O Trent
Patrick A Holt
P2860
P304
P356
10.1021/CI800063V
P577
2008-07-22T00:00:00Z