Electrostatic steering and ionic tethering in enzyme-ligand binding: insights from simulations.
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Non-destructive inhibition of metallofullerenol Gd@C(82)(OH)(22) on WW domain: implication on signal transduction pathwayMolecular mechanism of pancreatic tumor metastasis inhibition by Gd@C82(OH)22 and its implication for de novo design of nanomedicineA structural snapshot of an intermediate on the streptavidin-biotin dissociation pathwayHow FMN binds to anabaena apoflavodoxin: a hydrophobic encounter at an open binding siteArginine residues at internal positions in a protein are always chargedSubstrate tunnels in enzymes: structure-function relationships and computational methodologyTowards structural systems pharmacology to study complex diseases and personalized medicineRevisiting the Fundamentals in the Design and Control of Nanoparticulate Colloids in the Frame of Soft ChemistryMetallofullerenol Gd@C₈₂(OH)₂₂ distracts the proline-rich-motif from putative binding on the SH3 domain.An electrostatic network and long-range regulation of Src kinasesqPIPSA: relating enzymatic kinetic parameters and interaction fields.Role of secondary sialic acid binding sites in influenza N1 neuraminidaseAssociation of aminoglycosidic antibiotics with the ribosomal A-site studied with Brownian dynamicsCalcium binding and allosteric signaling mechanisms for the sarcoplasmic reticulum Ca²+ ATPase.Kinase peptide specificity: improved determination and relevance to protein phosphorylationDNA structure and aspartate 276 influence nucleotide binding to human DNA polymerase beta. Implication for the identity of the rate-limiting conformational change.Synthesis and selection of de novo proteins that bind and impede cellular functions of an essential mycobacterial protein.Thrombin hydrolysis of human osteopontin is dependent on thrombin anion-binding exosites.Application of new multi-resolution methods for the comparison of biomolecular electrostatic properties in the absence of global structural similarityUsing substrate specificity of antiplasmin-cleaving enzyme for fibroblast activation protein inhibitor design.Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equationMolecular and conformational basis of a specific and high-affinity interaction between AlbA and albicidin phytotoxin.Kinetic properties of the 2-oxoglutarate dehydrogenase complex from Azotobacter vinelandii evidence for the formation of a precatalytic complex with 2-oxoglutarate.Blue copper proteins: a comparative analysis of their molecular interaction properties.Comparison of the dynamics of substrate access channels in three cytochrome P450s reveals different opening mechanisms and a novel functional role for a buried arginine.Clustering of HIV-1 Subtypes Based on gp120 V3 Loop electrostatic propertiesEnhancement of diffusion-controlled reaction rates by surface-induced orientational restriction.New in silico and conventional in vitro approaches to advance HIV drug discovery and design.Finite Element Estimation of Protein-Ligand Association Rates with Post-Encounter Effects: Applications to Calcium binding in Troponin C and SERCA.The two sides of complement C3d: evolution of electrostatics in a link between innate and adaptive immunity.Amyloid beta-degrading cryptidases: insulin degrading enzyme, presequence peptidase, and neprilysin.Ionic strength dependence of F-actin and glycolytic enzyme associations: a Brownian dynamics simulations approach.Elucidation of human choline kinase crystal structures in complex with the products ADP or phosphocholine.Enzyme localization, crowding, and buffers collectively modulate diffusion-influenced signal transduction: Insights from continuum diffusion modeling.Molecular features of interaction between VEGFA and anti-angiogenic drugs used in retinal diseases: a computational approachMutagenic analysis of conserved arginine residues in and around the novel sulfate binding pocket of the human Theta class glutathione transferase T2-2.Conservation and Role of Electrostatics in Thymidylate Synthase.Coupled flexibility change in cytochrome P450cam substrate binding determined by neutron scattering, NMR, and molecular dynamics simulationOn the interaction mechanisms of a p53 peptide and nutlin with the MDM2 and MDMX proteins: a Brownian dynamics study.Effects of cell volume regulating osmolytes on glycerol 3-phosphate binding to triosephosphate isomerase
P2860
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P2860
Electrostatic steering and ionic tethering in enzyme-ligand binding: insights from simulations.
description
1998 nî lūn-bûn
@nan
1998年の論文
@ja
1998年論文
@yue
1998年論文
@zh-hant
1998年論文
@zh-hk
1998年論文
@zh-mo
1998年論文
@zh-tw
1998年论文
@wuu
1998年论文
@zh
1998年论文
@zh-cn
name
Electrostatic steering and ion ...... ng: insights from simulations.
@ast
Electrostatic steering and ion ...... ng: insights from simulations.
@en
type
label
Electrostatic steering and ion ...... ng: insights from simulations.
@ast
Electrostatic steering and ion ...... ng: insights from simulations.
@en
prefLabel
Electrostatic steering and ion ...... ng: insights from simulations.
@ast
Electrostatic steering and ion ...... ng: insights from simulations.
@en
P2093
P2860
P356
P1476
Electrostatic steering and ion ...... ng: insights from simulations.
@en
P2093
R R Gabdoulline
S K Lüdemann
P2860
P304
P356
10.1073/PNAS.95.11.5942
P407
P577
1998-05-01T00:00:00Z