Human cytidine deaminase: a three-dimensional homology model of a tetrameric metallo-enzyme inferred from the crystal structure of a distantly related dimeric homologueArchitecture with GIDEON, a program for design in structural DNA nanotechnologyBinding modes of CCR5-targetting HIV entry inhibitors: partial and full antagonistsIn-silico Screening for anti-Zika Virus PhytochemicalsAn extensively modified version of MolScript that includes greatly enhanced coloring capabilitiesThe whey acidic protein family: a new signature motif and three-dimensional structure by comparative modelingIntrinsically disordered proteinPrediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approachVisualizing the locality of intermolecular interactions in organic crystalsAn in silico [correction of insilico] approach to bioremediation: laccase as a case studyRole of the omega loop in specificity determination in subsite 2 of the D-alanine:D-alanine (D-lactate) ligase from Leuconostoc mesenteroides: a molecular docking studyeHiTS: a new fast, exhaustive flexible ligand docking systemDevelopment of accurate binding affinity predictions of novel renin inhibitors through molecular docking studiesAcetylenic inhibitors of ADAM10 and ADAM17: in silico analysis of potency and selectivityThe prediction of the wild-type telomerase RNA pseudoknot structure and the pivotal role of the bulge in its formationComputational study of human phosphomannose isomerase: Insights from homology modeling and molecular dynamics simulation of enzyme bound substrateMolecular dynamics of a biophysical model for beta2-adrenergic and G protein-coupled receptor activationOpen source molecular modelingIdentification of Potential Inhibitors Against The Zika Virus Using Consensus ScoringBeware of q2!PubChem BioAssays as a data source for predictive modelsEnhancing 4-propylheptane dissociation with nickel nanocluster based on molecular dynamics simulationsGPU-accelerated molecular modeling coming of agePython: a programming language for software integration and developmentAutomatic atom type and bond type perception in molecular mechanical calculationsParameterization of the proline analogue Aze (azetidine-2-carboxylic acid) for molecular dynamics simulations and evaluation of its effect on homo-pentapeptide conformations.Study of the mechanism of protonated histidine-induced conformational changes in the Zika virus dimeric envelope protein using accelerated molecular dynamic simulations.Continuum electrostatic approach for evaluating positions and interactions of proteins in a bilayer membrane.The harmonic analysis of cylindrically symmetric proteins: a comparison of Dronpa and a DNA sliding clamp.Modification of Martini force field for molecular dynamics simulation of hydrophobic charge induction chromatography of lysozyme.Stability tests on known and misfolded structures with discrete and all atom molecular dynamics simulations.Analysis of the stabilities of hexameric amyloid-β(1-42) models using discrete molecular dynamics simulationsMolecular dynamics simulation of the effect of ligand homogeneity on protein behavior in hydrophobic charge induction chromatography.Computational analysis of R and S isoforms of 12-lipoxygenases: homology modeling and docking studies.Hemoglobin-binding protein HgbA in the outer membrane of Actinobacillus pleuropneumoniae: homology modelling reveals regions of potential interactions with hemoglobin and heme.Comparison of homology models and X-ray structures of the nuclear receptor CAR: assessing the structural basis of constitutive activity.Single-coordinate-driving method for molecular docking: application to modeling of guest inclusion in cyclodextrin.Glycosylation of prions and its effects on protein conformation relevant to amino acid mutations.SymROP: ROP protein with identical helices redesigned by all-atom contact analysis and molecular dynamics.Synergy between combinatorial chemistry and de novo design.
P1433
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P1433
description
journal
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revista científica
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rivista scientifica
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vědecký časopis
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wetenschappelijk tijdschrift van Elsevier
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wissenschaftliche Zeitschrift
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مجلة
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वैज्ञानिक पत्रिका
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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type
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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J Mol Graph Model
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J Mol Graph Model
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J Mol Graph Model
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J. Mol. Graph.
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Journal of Molecular Graphics and Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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Journal of Molecular Graphics & Modelling
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P1813
J Mol Graph Model
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P236
P3181
P407
P5963
journal-of-molecular-graphics-and-modelling