GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
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Collective dynamics underlying allosteric transitions in hemoglobinRole of histone tails in structural stability of the nucleosomePutting the pieces together: integrative modeling platform software for structure determination of macromolecular assembliesA fast recoiling silk-like elastomer facilitates nanosecond nematocyst dischargeWater transport control in carbon nanotube arraysβ-hairpin-mediated formation of structurally distinct multimers of neurotoxic prion peptidesA plausible mechanism for the antimalarial activity of artemisinin: A computational approachMechanistic and structural insight into the functional dichotomy between IL-2 and IL-15The structure and regulation of human muscle α-actininBivalent binding drives the formation of the Grb2-Gab1 signaling complex in a noncooperative mannerMutations to a glycine loop in the catalytic site of human Lon changes its protease, peptidase and ATPase activitiesThe molecular basis for selective inhibition of unconventional mRNA splicing by an IRE1-binding small moleculeVienna-PTM web server: a toolkit for MD simulations of protein post-translational modificationsMembrane position of ibuprofen agrees with suggested access path entrance to cytochrome P450 2C9 active siteLSD1/CoREST is an allosteric nanoscale clamp regulated by H3-histone-tail molecular recognition.Computational identification of a transiently open L1/S3 pocket for reactivation of mutant p53Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'A mutation in VPS35, encoding a subunit of the retromer complex, causes late-onset Parkinson diseaseComputational electrophysiology: the molecular dynamics of ion channel permeation and selectivity in atomistic detailPrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsThe effect of amidation on the behaviour of antimicrobial peptidesMolecular dynamics simulations: advances and applicationsMembrane Packing Problems: A short Review on computational Membrane Modeling Methods and ToolsA hybrid approach to simulation of electron transfer in complex molecular systemsProtein-carbohydrate interactions studied by NMR: from molecular recognition to drug designDynamics, flexibility and ligand-induced conformational changes in biological macromolecules: a computational approachTheoretical and simulation studies on voltage-gated sodium channelsFilming biomolecular processes by high-speed atomic force microscopySwissParam: A fast force field generation tool for small organic moleculesInteraction between IGFBP7 and insulin: a theoretical and experimental studyMolecular switches of the κ opioid receptor triggered by 6'-GNTI and 5'-GNTI.Novel Phosphotidylinositol 4,5-Bisphosphate Binding Sites on Focal Adhesion KinaseDimer formation enhances structural differences between amyloid β-protein (1-40) and (1-42): an explicit-solvent molecular dynamics studyInterlayer water regulates the bio-nano interface of a β-sheet protein stacking on graphene.The role of lipids in mechanosensation.In silico analysis of conformational changes induced by mutation of aromatic binding residues: consequences for drug binding in the hERG K+ channelCrystal and EM structures of human phosphoribosyl pyrophosphate synthase I (PRS1) provide novel insights into the disease-associated mutationsStructure, dynamics, and interaction of Mycobacterium tuberculosis (Mtb) DprE1 and DprE2 examined by molecular modeling, simulation, and electrostatic studiesSuccinylome analysis reveals the involvement of lysine succinylation in metabolism in pathogenic Mycobacterium tuberculosisMicrosecond molecular dynamics simulations of intrinsically disordered proteins involved in the oxidative stress response
P2860
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P2860
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
description
2008 nî lūn-bûn
@nan
2008 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի մարտին հրատարակված գիտական հոդված
@hy
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
name
GROMACS 4: Algorithms for Hig ...... Scalable Molecular Simulation
@ast
GROMACS 4: Algorithms for Hig ...... Scalable Molecular Simulation
@en
GROMACS 4: Algorithms for Hig ...... Scalable Molecular Simulation
@nl
type
label
GROMACS 4: Algorithms for Hig ...... Scalable Molecular Simulation
@ast
GROMACS 4: Algorithms for Hig ...... Scalable Molecular Simulation
@en
GROMACS 4: Algorithms for Hig ...... Scalable Molecular Simulation
@nl
prefLabel
GROMACS 4: Algorithms for Hig ...... Scalable Molecular Simulation
@ast
GROMACS 4: Algorithms for Hig ...... Scalable Molecular Simulation
@en
GROMACS 4: Algorithms for Hig ...... Scalable Molecular Simulation
@nl
P3181
P356
P1476
GROMACS 4: Algorithms for Hig ...... Scalable Molecular Simulation
@en
P2093
Carsten Kutzner
P304
P3181
P356
10.1021/CT700301Q
P577
2008-03-01T00:00:00Z