P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation.
about
Mechanistic and structural insight into the functional dichotomy between IL-2 and IL-15Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'Computational electrophysiology: the molecular dynamics of ion channel permeation and selectivity in atomistic detailShearing of the CENP-A dimerization interface mediates plasticity in the octameric centromeric nucleosome.Crystal and EM structures of human phosphoribosyl pyrophosphate synthase I (PRS1) provide novel insights into the disease-associated mutationsMolecular bases of catalysis and ADP-ribose preference of human Mn2+-dependent ADP-ribose/CDP-alcohol diphosphatase and conversion by mutagenesis to a preferential cyclic ADP-ribose phosphohydrolaseRapid Heme Transfer Reactions between NEAr Transporter Domains of Staphylococcus aureus: A Theoretical Study Using QM/MM and MD SimulationsBending-Twisting Motions and Main Interactions in Nucleoplasmin Nuclear ImportMapping the conformational dynamics and pathways of spontaneous steric zipper Peptide oligomerizationStructural Insights into SraP-Mediated Staphylococcus aureus Adhesion to Host CellsHelical extension of the neuronal SNARE complex into the membraneMolecular Mimicry and Ligand Recognition in Binding and Catalysis by the Histone Demethylase LSD1-CoREST ComplexSolution structure of the Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNAToward Understanding the Outer Membrane Uptake of Small Molecules by Pseudomonas aeruginosaStructural Basis for Activation of ZAP-70 by Phosphorylation of the SH2-Kinase LinkerA two-domain elevator mechanism for sodium/proton antiportSolution and Crystallographic Structures of the Central Region of the Phosphoprotein from Human MetapneumovirusMolecular structure of human GM-CSF in complex with a disease-associated anti-human GM-CSF autoantibody and its potential biological implicationsEbolavirus entry requires a compact hydrophobic fist at the tip of the fusion loop.Structure of the Neisserial outer membrane protein Opa₆₀: loop flexibility essential to receptor recognition and bacterial engulfment.Probing the Electrostatics of Active Site Microenvironments along the Catalytic Cycle for Escherichia coli Dihydrofolate ReductaseInvestigation into the feasibility of thioditaloside as a novel scaffold for galectin-3-specific inhibitorsPutative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetXSpecificity of a UDP-GalNAc pyranose-furanose mutase: a potential therapeutic target for Campylobacter jejuni infectionsCatalytically distinct states captured in a crystal lattice: the substrate-bound and scavenger states of acylaminoacyl peptidase and their implications for functionalityCrystal structures reveal the molecular basis of ion translocation in sodium/proton antiportersTrisaccharide containing α2,3-linked sialic acid is a receptor for mumps virusNovel actin filaments from Bacillus thuringiensis form nanotubules for plasmid DNA segregationConformational changes and slow dynamics through microsecond polarized atomistic molecular simulation of an integral Kv1.2 ion channelThe impact of small molecule binding on the energy landscape of the intrinsically disordered protein C-mycStructure and dynamics of amyloid-β segmental polymorphismsInter-species cross-seeding: stability and assembly of rat-human amylin aggregatesMolecular recognition in complexes of TRF proteins with telomeric DNAInteraction of the antimicrobial peptide polymyxin B1 with both membranes of E. coli: a molecular dynamics studyLigand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual ScreeningCoenzyme Q Biosynthesis: Evidence for a Substrate Access Channel in the FAD-Dependent Monooxygenase Coq6Towards a structural biology of the hydrophobic effect in protein foldingStructural, Functional, and Clinical Characterization of a Novel PTPN11 Mutation Cluster Underlying Noonan SyndromeAllosteric signalling in the outer membrane translocation domain of PapC usher.Probing the conformation of FhaC with small-angle neutron scattering and molecular modeling.
P2860
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P2860
P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation.
@en
P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation.
@nl
type
label
P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation.
@en
P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation.
@nl
prefLabel
P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation.
@en
P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation.
@nl
P356
P1476
P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation.
@en
P2093
P304
P356
10.1021/CT700200B
P577
2008-01-01T00:00:00Z