A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6
about
Directed evolution of a model primordial enzyme provides insights into the development of the genetic codeA systematic framework for molecular dynamics simulations of protein post-translational modificationsMolecular basis of a novel adaptation to hypoxic-hypercapnia in a strictly fossorial moleLarge scale characterization of the LC13 TCR and HLA-B8 structural landscape in reaction to 172 altered peptide ligands: a molecular dynamics simulation studyStructure of the mature ectodomain of the human receptor-type protein-tyrosine phosphatase IA-2Vienna-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.Elucidating the inhibition mechanism of HIV-1 non-nucleoside reverse transcriptase inhibitors through multicopy molecular dynamics simulationsComputational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitorsBridging scales through multiscale modeling: a case study on protein kinase AMolecular Simulations of Gram-Negative Bacterial Membranes: A Vignette of Some Recent SuccessesDynamics, flexibility and ligand-induced conformational changes in biological macromolecules: a computational approachOptimization of Protein Backbone Dihedral Angles by Means of Hamiltonian ReweightingMicrosecond molecular dynamics simulations of intrinsically disordered proteins involved in the oxidative stress responseMolecular 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 phosphohydrolaseExtrapolation of Inter Domain Communications and Substrate Binding Cavity of Camel HSP70 1A: A Molecular Modeling and Dynamics Simulation StudyStructural insights into E. coli porphobilinogen deaminase during synthesis and exit of 1-hydroxymethylbilaneWnt5a Deficiency Leads to Anomalies in Ureteric Tree Development, Tubular Epithelial Cell Organization and Basement Membrane Integrity Pointing to a Role in Kidney Collecting Duct PatterningInter-domain communication mechanisms in an ABC importer: a molecular dynamics study of the MalFGK2E complexDynamic conformational changes in munc18 prevent syntaxin bindingA Redox-Active, Compact Molecule for Cross-Linking Amyloidogenic Peptides into Nontoxic, Off-Pathway Aggregates: In Vitro and In Vivo Efficacy and Molecular Mechanisms.Ternary structure reveals mechanism of a membrane diacylglycerol kinaseInvestigation of the Josephin Domain protein-protein interaction by molecular dynamicsMolecular Basis of the Acceleration of the GDP-GTP Exchange of Human Ras Homolog Enriched in Brain by Human Translationally Controlled Tumor ProteinA buried lysine that titrates with a normal pKa: Role of conformational flexibility at the protein-water interface as a determinant of pKavaluesStructure and Dynamics of Helix-0 of the N-BAR Domain in Lipid Micelles and BilayersInsights into How Nucleotide-Binding Domains Power ABC TransportCrystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug designExploring the trigger sequence of the GCN4 coiled-coil: Biased molecular dynamics resolves apparent inconsistencies in NMR measurementsTyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulationsThe Structure of Lombricine Kinase: IMPLICATIONS FOR PHOSPHAGEN KINASE CONFORMATIONAL CHANGESMolecular Mimicry and Ligand Recognition in Binding and Catalysis by the Histone Demethylase LSD1-CoREST ComplexImpact of BRCA1 BRCT Domain Missense Substitutions on Phosphopeptide RecognitionInvolvement of the distal Arg residue in Cl⁻ binding of midge larval haemoglobinCopper-transporting P-type ATPases use a unique ion-release pathwayAtomic resolution view into the structure–function relationships of the human myelin peripheral membrane protein P2Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanismLigand binding and self-association cooperativity of β-lactoglobulinMissing Fragments: Detecting Cooperative Binding in Fragment-Based Drug Design
P2860
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P2860
A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6
description
2004 nî lūn-bûn
@nan
2004 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
A biomolecular force field bas ...... d parameter sets 53A5 and 53A6
@ast
A biomolecular force field bas ...... d parameter sets 53A5 and 53A6
@en
type
label
A biomolecular force field bas ...... d parameter sets 53A5 and 53A6
@ast
A biomolecular force field bas ...... d parameter sets 53A5 and 53A6
@en
prefLabel
A biomolecular force field bas ...... d parameter sets 53A5 and 53A6
@ast
A biomolecular force field bas ...... d parameter sets 53A5 and 53A6
@en
P2093
P3181
P356
P1476
A biomolecular force field bas ...... d parameter sets 53A5 and 53A6
@en
P2093
Oostenbrink C
van Gunsteren WF
P304
P3181
P356
10.1002/JCC.20090
P407
P577
2004-10-01T00:00:00Z