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Using molecular dynamics to quantify the electrical double layer and examine the potential for its direct observation in the in-situ TEMWater transport control in carbon nanotube arraysMolecular speciation and dynamics of oxidized triacylglycerols in lipid droplets: mass spectrometry and coarse-grained simulationsMechanistic and structural insight into the functional dichotomy between IL-2 and IL-15Development of a highly-potent anti-angiogenic VEGF8-109 heterodimer by directed blocking of its VEGFR-2 binding siteComputational electrophysiology: the molecular dynamics of ion channel permeation and selectivity in atomistic detailStructure, Dynamics, and Allosteric Potential of Ionotropic Glutamate Receptor N-Terminal DomainsDimer formation enhances structural differences between amyloid β-protein (1-40) and (1-42): an explicit-solvent molecular dynamics studyShearing of the CENP-A dimerization interface mediates plasticity in the octameric centromeric nucleosome.Interlayer water regulates the bio-nano interface of a β-sheet protein stacking on graphene.Crystal and EM structures of human phosphoribosyl pyrophosphate synthase I (PRS1) provide novel insights into the disease-associated mutationsSuccinylome analysis reveals the involvement of lysine succinylation in metabolism in pathogenic Mycobacterium tuberculosisCrystal structure of an invertebrate cytolysin pore reveals unique properties and mechanism of assemblyFunctional diversity and structural disorder in the human ubiquitination pathwayOligomerization of Peptides LVEALYL and RGFFYT and Their Binding Affinity to InsulinA Jump-from-Cavity Pyrophosphate Ion Release Assisted by a Key Lysine Residue in T7 RNA Polymerase Transcription ElongationDistinct Roles of Histone H3 and H2A Tails in Nucleosome Stability.Tipping the Scale from Disorder to Alpha-helix: Folding of Amphiphilic Peptides in the Presence of Macroscopic and Molecular InterfacesMolecular dynamics simulations of the bacterial UraA H+-uracil symporter in lipid bilayers reveal a closed state and a selective interaction with cardiolipinStructural insights into E. coli porphobilinogen deaminase during synthesis and exit of 1-hydroxymethylbilaneDNA minicircles clarify the specific role of DNA structure on retroviral integrationFree energy landscape and transition pathways from Watson-Crick to Hoogsteen base pairing in free duplex DNAMechanism of lignin inhibition of enzymatic biomass deconstructionRapid Heme Transfer Reactions between NEAr Transporter Domains of Staphylococcus aureus: A Theoretical Study Using QM/MM and MD SimulationsSpontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulationConformational Changes in the Epidermal Growth Factor Receptor: Role of the Transmembrane Domain Investigated by Coarse-Grained MetaDynamics Free Energy CalculationsCollapse of a lipid-coated nanobubble and subsequent liposome formation.Molecular Dynamics Simulations and Structural Analysis to Decipher Functional Impact of a Twenty Residue Insert in the Ternary Complex of Mus musculus TdT IsoformBending-Twisting Motions and Main Interactions in Nucleoplasmin Nuclear ImportStructural heterogeneity and quantitative FRET efficiency distributions of polyprolines through a hybrid atomistic simulation and Monte Carlo approachInvestigation of the Josephin Domain protein-protein interaction by molecular dynamicsMapping the conformational dynamics and pathways of spontaneous steric zipper Peptide oligomerizationFemtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow proteinDifferential stability of 2'F-ANA*RNA and ANA*RNA hybrid duplexes: roles of structure, pseudohydrogen bonding, hydration, ion uptake and flexibilitySolution Structure and Membrane Binding of the Toxin Fst of the par Addiction ModuleSupramolecular Structure of Membrane-Associated Polypeptides by Combining Solid-State NMR and Molecular Dynamics SimulationsThe 2.5 A Structure of the Enterococcus Conjugation Protein TraM resembles VirB8 Type IV Secretion ProteinsStructural basis for allosteric stimulation of Sir2 activity by Sir4 bindingSolution structure of the Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNACrystal structure and functional mechanism of a human antimicrobial membrane channel
P2860
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P2860
description
2007 nî lūn-bûn
@nan
2007 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
name
Canonical sampling through velocity rescaling
@ast
Canonical sampling through velocity rescaling
@en
type
label
Canonical sampling through velocity rescaling
@ast
Canonical sampling through velocity rescaling
@en
prefLabel
Canonical sampling through velocity rescaling
@ast
Canonical sampling through velocity rescaling
@en
P2093
P3181
P356
P1476
Canonical sampling through velocity rescaling
@en
P2093
P304
P3181
P356
10.1063/1.2408420
P407
P577
2007-01-07T00:00:00Z