Simulation of NMR data reveals that proteins' local structures are stabilized by electronic polarization.
about
Electronic polarization stabilizes tertiary structure prediction of HP-36.Recent advances toward a general purpose linear-scaling quantum force fieldFree energy of binding of coiled-coil complexes with different electrostatic environments: the influence of force field polarisation and cappingProbing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA CalculationAssessing and refining molecular dynamics simulations of proteins with nuclear magnetic resonance data.Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density PartitioningLarge-scale molecular dynamics simulation: Effect of polarization on thrombin-ligand binding energyEffect of polarization on HIV-1protease and fluoro-substituted inhibitors binding energies by large scale molecular dynamics simulations.Quantum mechanical calculation of electric fields and vibrational Stark shifts at active site of human aldose reductase.The F130L mutation in streptavidin reduces its binding affinity to biotin through electronic polarization effect.The critical effect of polarization on the dynamical structure of guanine quadruplex DNA.On combining Thole's induced point dipole model with fixed charge distributions in molecular mechanics force fields.Ab initio folding of extended α-helix: a theoretical study about the role of electrostatic polarization in the folding of helical structures.Effect of electrostatic polarization and bridging water on CDK2-ligand binding affinities calculated using a highly efficient interaction entropy method.Communication: The electrostatic polarization is essential to differentiate the helical propensity in polyalanine mutants.Communications: Electron polarization critically stabilizes the Mg2+ complex in the catalytic core domain of HIV-1 integrase.Intermediate electrostatic field for the generalized elongation method.
P2860
Q30361195-2E79634F-B23D-41F9-B14C-34FAB2BE6268Q34193981-8988E822-0FD7-4156-B6B6-37A4C281647EQ34353637-28AD40FB-15ED-44C8-B2FB-49D08040F96CQ36329555-45FC3051-B5ED-4C8F-9B2D-33AECA5CFF70Q36373046-41630F1F-05AA-4D89-83C7-74F806C94F6EQ37034752-B881096C-2C22-41E7-AF15-6B5714777C03Q37163377-858EFC11-0FBF-4B0F-8F9E-A947C4950938Q37622781-A169B75A-C6ED-45E2-A564-EF54C5E0D4F1Q40322069-381F89D9-53C4-4C18-88F4-20ED039B0920Q45393755-0B79B98C-2AAB-485D-842C-3D57A4BFAC61Q46966849-D66A6E8F-807A-4459-93FD-4B2B328D8EF4Q50950605-A1D1B456-DA90-4836-9138-EACCDC030C45Q50996693-67FEEE92-0C12-4811-88A2-10CBF789AED9Q51075716-769AB272-1D39-4F6E-B5C2-187B1965CD21Q51571593-DD1AB5DB-7DEC-4003-9CAD-A93E8CEE7290Q51705033-97F38EB3-5548-4F7A-908B-4108F4F947EFQ53230112-A6591094-36E8-44AD-B183-70E14404CB07
P2860
Simulation of NMR data reveals that proteins' local structures are stabilized by electronic polarization.
description
2009 nî lūn-bûn
@nan
2009 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Simulation of NMR data reveals ...... ed by electronic polarization.
@ast
Simulation of NMR data reveals ...... ed by electronic polarization.
@en
type
label
Simulation of NMR data reveals ...... ed by electronic polarization.
@ast
Simulation of NMR data reveals ...... ed by electronic polarization.
@en
prefLabel
Simulation of NMR data reveals ...... ed by electronic polarization.
@ast
Simulation of NMR data reveals ...... ed by electronic polarization.
@en
P356
P1476
Simulation of NMR data reveals ...... ed by electronic polarization.
@en
P2093
P304
P356
10.1021/JA901650R
P407
P577
2009-06-01T00:00:00Z