New tricks for modelers from the crystallography toolkit: the particle mesh Ewald algorithm and its use in nucleic acid simulations
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Localization of putative binding sites for cyclic guanosine monophosphate and the anti-cancer drug 5-fluoro-2'-deoxyuridine-5'-monophosphate on ABCC11 in silico models14-3-3ζ interacts with stat3 and regulates its constitutive activation in multiple myeloma cellsThe role of water in activation mechanism of human N-formyl peptide receptor 1 (FPR1) based on molecular dynamics simulationsComEA is essential for the transfer of external DNA into the periplasm in naturally transformable Vibrio cholerae cellsInsights in 17beta-HSD1 enzyme kinetics and ligand binding by dynamic motion investigationDihydrostreptomycin Directly Binds to, Modulates, and Passes through the MscL Channel PoreMinimum-energy path for a u6 RNA conformational change involving protonation, base-pair rearrangement and base flippingNMR Studies on Structure and Dynamics of the Monomeric Derivative of BS-RNase: New Insights for 3D Domain SwappingCrystal Structure and Mode of Helicase Binding of the C-Terminal Domain of Primase from Helicobacter pyloriHuman immunoglobulin E flexes between acutely bent and extended conformations.RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targetingMathematical and computational modeling in biology at multiple scalesDevelop and test a solvent accessible surface area-based model in conformational entropy calculationsInfluence of preformed Asp23-Lys28 salt bridge on the conformational fluctuations of monomers and dimers of Abeta peptides with implications for rates of fibril formationStructural basis for species specific inhibition of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1): computational study and biological validationThe role of response elements organization in transcription factor selectivity: the IFN-β enhanceosome exampleGDP release preferentially occurs on the phosphate side in heterotrimeric G-proteinsLipid receptor S1P₁ activation scheme concluded from microsecond all-atom molecular dynamics simulationsMolecular dynamics of CYP2D6 polymorphisms in the absence and presence of a mechanism-based inactivator reveals changes in local flexibility and dominant substrate access channelsStructural Mechanism behind Distinct Efficiency of Oct4/Sox2 Proteins in Differentially Spaced DNA ComplexesIn Silico Structure Prediction of Human Fatty Acid Synthase-Dehydratase: A Plausible Model for Understanding Active Site InteractionsIn silico phosphorylation of the autoinhibited form of p47(phox): insights into the mechanism of activationLow molecular weight oligomers of amyloid peptides display beta-barrel conformations: a replica exchange molecular dynamics study in explicit solvent.Interplay of the bacterial ribosomal A-site, S12 protein mutations and paromomycin binding: a molecular dynamics study.Analysis of adaptation mutants in the hemagglutinin of the influenza A(H1N1)pdm09 virus.Association between PARP-1 V762A polymorphism and breast cancer susceptibility in Saudi population.Computational identification of significant missense mutations in AKT1 gene.Structure of a protein-detergent complex: the balance between detergent cohesion and binding.In silico analysis of drug-resistant mutant of neuraminidase (N294S) against oseltamivir.Development of polarizable models for molecular mechanical calculations. 4. van der Waals parametrization.Insight into the oseltamivir resistance R292K mutation in H5N1 influenza virus: a molecular docking and molecular dynamics approach.Toward the understanding of MNEI sweetness from hydration map surfacesMolecular dynamics study of the ribosomal A-site.Derivatives of rhodamine 19 as mild mitochondria-targeted cationic uncouplersKinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations.Designing molecular dynamics simulations to shift populations of the conformational states of calmodulin.Electrical Stimulus Controlled Binding/Unbinding of Human Thrombin-Aptamer Complex.Water molecules as structural determinants among prions of low sequence identity.Simulations of the water exchange dynamics of lanthanide ions in 1-ethyl-3-methylimidazolium ethyl sulfate ([EMIm][EtSO4]) and water.Development of new laccases by directed evolution: functional and computational analyses.
P2860
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P2860
New tricks for modelers from the crystallography toolkit: the particle mesh Ewald algorithm and its use in nucleic acid simulations
description
1999 nî lūn-bûn
@nan
1999 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
1999 թվականի մարտին հրատարակված գիտական հոդված
@hy
1999年の論文
@ja
1999年論文
@yue
1999年論文
@zh-hant
1999年論文
@zh-hk
1999年論文
@zh-mo
1999年論文
@zh-tw
1999年论文
@wuu
name
New tricks for modelers from t ...... se in nucleic acid simulations
@ast
New tricks for modelers from t ...... se in nucleic acid simulations
@en
type
label
New tricks for modelers from t ...... se in nucleic acid simulations
@ast
New tricks for modelers from t ...... se in nucleic acid simulations
@en
prefLabel
New tricks for modelers from t ...... se in nucleic acid simulations
@ast
New tricks for modelers from t ...... se in nucleic acid simulations
@en
P3181
P1433
P1476
New tricks for modelers from t ...... se in nucleic acid simulations
@en
P2093
P304
P3181
P356
10.1016/S0969-2126(99)80033-1
P577
1999-03-01T00:00:00Z