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Protonation states and catalysis: Molecular dynamics studies of intermediates in tryptophan synthase.The integrated analysis of metabolic and protein interaction networks reveals novel molecular organizing principles.Grand canonical ensemble Monte Carlo simulation of the dCpG/proflavine crystal hydrate.Catalytic reaction mechanism of acetylcholinesterase determined by Born-Oppenheimer ab initio QM/MM molecular dynamics simulations.Enzymes work by solvation substitution rather than by desolvation.Do ligand binding and solvent exclusion alter the electrostatic character within the oxyanion hole of an enzymatic active site?Reversibility and efficiency in electrocatalytic energy conversion and lessons from enzymes.The nature of enzyme catalysis in trypsin.Comparison of nucleotide interactions in water, proteins, and vacuum: model for DNA polymerase fidelity.Mechanisms and free energies of enzymatic reactions.Computer simulations of enzyme catalysis: finding out what has been optimized by evolution.Non-enzymatic and enzymatic hydrolysis of alkyl halides: a haloalkane dehalogenation enzyme evolved to stabilize the gas-phase transition state of an SN2 displacement reactionSwitches of hydrogen bonds during ligand-protein association processes determine binding kinetics.Diffusional channeling in the sulfate-activating complex: combined continuum modeling and coarse-grained brownian dynamics studiesReactivity within a confined self-assembled nanospace.Hydrogen-bond stabilization in oxyanion holes: grand jeté to three dimensions.Recent Progress in Photocatalysis Mediated by Colloidal II-VI Nanocrystals.Computational Enzyme Design: Advances, hurdles and possible ways forwardCatalyzed decomposition of urea. Molecular dynamics simulations of the binding of urea to urease.BIOPHYSICS. Response to Comments on "Extreme electric fields power catalysis in the active site of ketosteroid isomerase".A quantum-dynamics study of the prototropic tautomerism of guanine and its contribution to spontaneous point mutations in Escherichia coli.The physico-chemical "anatomy" of the tautomerization through the DPT of the biologically important pairs of hypoxanthine with DNA bases: QM and QTAIM perspectives.Can tautomerization of the A·T Watson-Crick base pair via double proton transfer provoke point mutations during DNA replication? A comprehensive QM and QTAIM analysis.Atomistic understanding of the C·T mismatched DNA base pair tautomerization via the DPT: QM and QTAIM computational approaches.Electrostatic origin of the catalytic power of enzymes and the role of preorganized active sites.Why the tautomerization of the G·C Watson-Crick base pair via the DPT does not cause point mutations during DNA replication? QM and QTAIM comprehensive analysis.Catalysis by solvation rather than the desolvation effect: exploring the catalytic efficiency of SAM-dependent chlorinase.Alternative Mechanistic Strategy for Enzyme Catalysis in a Ni-Dependent Lactate Racemase (LarA): Intermediate Destabilization by the Cofactor.The nature of the transition mismatches with Watson-Crick architecture: the G*·T or G·T* DNA base mispair or both? A QM/QTAIM perspective for the biological problem.The physicochemical essence of the purine·pyrimidine transition mismatches with Watson-Crick geometry in DNA: A·C* versa A*·C. A QM and QTAIM atomistic understanding.Surprising Conformers of the Biologically Important A·T DNA Base Pairs: QM/QTAIM Proofs.Prototropic tautomerism and basic molecular principles of hypoxanthine mutagenicity: an exhaustive quantum-chemical analysisCan DNA-binding proteins of replisome tautomerize nucleotide bases? Ab initio model study
P2860
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P2860
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on April 1985
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Alternative view of enzyme reactions.
@en
Alternative view of enzyme reactions.
@nl
type
label
Alternative view of enzyme reactions.
@en
Alternative view of enzyme reactions.
@nl
prefLabel
Alternative view of enzyme reactions.
@en
Alternative view of enzyme reactions.
@nl
P2860
P356
P1476
Alternative view of enzyme reactions.
@en
P2093
P2860
P304
P356
10.1073/PNAS.82.8.2225
P407
P577
1985-04-01T00:00:00Z