Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis.
about
Computational analysis of phosphopeptide binding to the polo-box domain of the mitotic kinase PLK1 using molecular dynamics simulationDelPhi: a comprehensive suite for DelPhi software and associated resourcesAutophosphorylation restrains the apoptotic activity of DRP-1 kinase by controlling dimerization and calmodulin bindingStructural prototypes for an extended family of flavoprotein reductases: comparison of phthalate dioxygenase reductase with ferredoxin reductase and ferredoxinPCE: web tools to compute protein continuum electrostaticsBiomolecular electrostatics and solvation: a computational perspectiveProteins as strongly correlated protonic systemsA proton-NMR investigation of the fully reduced cytochrome c7 from Desulfuromonas acetoxidans. Comparison between the reduced and the oxidized formsAnalysis of inhibitor binding in influenza virus neuraminidaseElectrostatic properties of the structure of the docking and dimerization domain of protein kinase A IIalphaPreliminary characterization and crystal structure of a thermostable cytochrome P450 from Thermus thermophilusComputational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 proteaseHIV-1 Protease Inhibitors from Inverse Design in the Substrate Envelope Exhibit Subnanomolar Binding to Drug-Resistant VariantsThe first high pH structure ofEscherichia coliaspartate transcarbamoylaseMetal Ion Involvement in the Allosteric Mechanism of Escherichia coli Aspartate TranscarbamoylaseRoles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related CavitiesDesign, Synthesis, and Biological and Structural Evaluations of Novel HIV-1 Protease Inhibitors To Combat Drug ResistanceStructure of the corrinoid:coenzyme M methyltransferase MtaA from Methanosarcina mazeiCrystal structure of the large fragment of Thermus aquaticus DNA polymerase I at 2.5-A resolution: structural basis for thermostabilityNative-state conformational dynamics of GART: a regulatory pH-dependent coil-helix transition examined by electrostatic calculationsGrid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]urilEfficient calculation of molecular configurational entropies using an information theoretic approximationEfficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble EnumerationGMCT : A Monte Carlo simulation package for macromolecular receptorsElectrostatic strengths of salt bridges in thermophilic and mesophilic glutamate dehydrogenase monomers.Selectivity and specificity of substrate binding in methionyl-tRNA synthetase.Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble.Common physical basis of macromolecule-binding sites in proteinsContribution of salt bridges toward protein thermostability.Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties.Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular bindingProgress in developing Poisson-Boltzmann equation solvers.Thermodynamic linkage between the binding of protons and inhibitors to HIV-1 protease.Association of aminoglycosidic antibiotics with the ribosomal A-site studied with Brownian dynamicsOn the Dielectric "Constant" of Proteins: Smooth Dielectric Function for Macromolecular Modeling and Its Implementation in DelPhiEfficient electrostatic solvation model for protein-fragment docking.Molecular dynamics simulations of the NGF-TrkA domain 5 complex and comparison with biological data.MULTIPROSPECTOR: an algorithm for the prediction of protein-protein interactions by multimeric threading.Folding free energy function selects native-like protein sequences in the core but not on the surface.A hydrophobic cluster at the surface of the human plasma phospholipid transfer protein is critical for activity on high density lipoproteins.
P2860
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P2860
Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis.
description
1988 nî lūn-bûn
@nan
1988 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
1988 թվականի հունվարին հրատարակված գիտական հոդված
@hy
1988年の論文
@ja
1988年論文
@yue
1988年論文
@zh-hant
1988年論文
@zh-hk
1988年論文
@zh-mo
1988年論文
@zh-tw
1988年论文
@wuu
name
Calculation of the total elect ...... , and conformational analysis.
@ast
Calculation of the total elect ...... , and conformational analysis.
@en
type
label
Calculation of the total elect ...... , and conformational analysis.
@ast
Calculation of the total elect ...... , and conformational analysis.
@en
prefLabel
Calculation of the total elect ...... , and conformational analysis.
@ast
Calculation of the total elect ...... , and conformational analysis.
@en
P356
P1433
P1476
Calculation of the total elect ...... , and conformational analysis.
@en
P2093
P356
10.1002/PROT.340040104
P407
P577
1988-01-01T00:00:00Z