QM/MM analysis suggests that Alkaline Phosphatase (AP) and nucleotide pyrophosphatase/phosphodiesterase slightly tighten the transition state for phosphate diester hydrolysis relative to solution: implication for catalytic promiscuity in the AP supe
about
High-resolution analysis of Zn(2+) coordination in the alkaline phosphatase superfamily by EXAFS and x-ray crystallographyCatalytic mechanism of histone acetyltransferase p300: from the proton transfer to acetylation reactionMolecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based modelsParametrization of DFTB3/3OB for magnesium and zinc for chemical and biological applicationsMechanistic insights into RNA transphosphorylation from kinetic isotope effects and linear free energy relationships of model reactions.Cooperative Electrostatic Interactions Drive Functional Evolution in the Alkaline Phosphatase Superfamily.Promiscuity in the Enzymatic Catalysis of Phosphate and Sulfate Transfer.A modified QM/MM Hamiltonian with the Self-Consistent-Charge Density-Functional-Tight-Binding Theory for highly charged QM regions.DFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard Parameters.Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications.Stabilization of different types of transition states in a single enzyme active site: QM/MM analysis of enzymes in the alkaline phosphatase superfamily.QM/MM free energy simulations: recent progress and challengesParameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications.Why nature really chose phosphate.Density functional tight binding: values of semi-empirical methods in an ab initio era.Modeling catalytic promiscuity in the alkaline phosphatase superfamily.Substrate selectivity of high-activity mutants of human butyrylcholinesterase.μ3-Oxo stabilized by three metal cations is a sufficient nucleophile for enzymatic hydrolysis of phosphate monoesters.QM/MM Analysis of Transition States and Transition State Analogues in Metalloenzymes.Leaving Group Ability Observably Affects Transition State Structure in a Single Enzyme Active Site.Substrate and Transition State Binding in Alkaline Phosphatase Analyzed by Computation of Oxygen Isotope Effects.Catalytic promiscuity in Pseudomonas aeruginosa arylsulfatase as an example of chemistry-driven protein evolution.Hydrolysis of phosphotriesters: a theoretical analysis of the enzymatic and solution mechanisms.Structural insights into the efficient CO2-reducing activity of an NAD-dependent formate dehydrogenase from Thiobacillus sp. KNK65MA.
P2860
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P2860
QM/MM analysis suggests that Alkaline Phosphatase (AP) and nucleotide pyrophosphatase/phosphodiesterase slightly tighten the transition state for phosphate diester hydrolysis relative to solution: implication for catalytic promiscuity in the AP supe
description
2011 nî lūn-bûn
@nan
2011 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
QM/MM analysis suggests that A ...... tic promiscuity in the AP supe
@ast
QM/MM analysis suggests that A ...... tic promiscuity in the AP supe
@en
QM/MM analysis suggests that Alkaline Phosphatase
@nl
type
label
QM/MM analysis suggests that A ...... tic promiscuity in the AP supe
@ast
QM/MM analysis suggests that A ...... tic promiscuity in the AP supe
@en
QM/MM analysis suggests that Alkaline Phosphatase
@nl
prefLabel
QM/MM analysis suggests that A ...... tic promiscuity in the AP supe
@ast
QM/MM analysis suggests that A ...... tic promiscuity in the AP supe
@en
QM/MM analysis suggests that Alkaline Phosphatase
@nl
P2860
P356
P1476
QM/MM analysis suggests that A ...... tic promiscuity in the AP supe
@en
P2093
Guanhua Hou
P2860
P304
P356
10.1021/JA205226D
P407
P577
2011-12-08T00:00:00Z