Triosephosphate isomerase: a theoretical comparison of alternative pathways
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CHARMM: the biomolecular simulation programThe crystal structure of rabbit phosphoglucose isomerase complexed with 5-phospho-D-arabinonohydroxamic acid.Crystal structure of triosephosphate isomerase complexed with 2-phosphoglycolate at 0.83-A resolutionStructure of Plasmodium falciparum triose-phosphate isomerase-2-phosphoglycerate complex at 1.1-A resolutionIdentification and Characterization of Noncovalent Interactions That Drive Binding and Specificity in DD-Peptidases and β-LactamasesCorrect and incorrect nucleotide incorporation pathways in DNA polymerase betaAb initio quantum chemistry: methodology and applicationsRole of Lys-12 in catalysis by triosephosphate isomerase: a two-part substrate approach.Role of water in the catalytic cycle of E. coli dihydrofolate reductase.The missing link between thermodynamics and structure in F1-ATPase.The mechanism of M.HhaI DNA C5 cytosine methyltransferase enzyme: a quantum mechanics/molecular mechanics approach.Common enzymological experiments allow free energy profile determination.Reaction mechanism of guanidinoacetate methyltransferase, concerted or step-wiseIdentification of seven novel virulence genes from Xanthomonas citri subsp. citri by Tn5-based random mutagenesis.Ambient-Potential Composite Ewald Method for ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics SimulationQM/MM Minimum Free Energy Path: Methodology and Application to Triosephosphate IsomeraseFree energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methodsStabilization of different types of transition states in a single enzyme active site: QM/MM analysis of enzymes in the alkaline phosphatase superfamily.Development and application of ab initio QM/MM methods for mechanistic simulation of reactions in solution and in enzymes.Quantum mechanical force fields for condensed phase molecular simulations.An analysis of reaction pathways for proton tunnelling in methylamine dehydrogenaseEnzyme Architecture: Modeling the Operation of a Hydrophobic Clamp in Catalysis by Triosephosphate Isomerase.Local encoding of computationally designed enzyme activity.Role of Ligand-Driven Conformational Changes in Enzyme Catalysis: Modeling the Reactivity of the Catalytic Cage of Triosephosphate Isomerase.Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method
P2860
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P2860
Triosephosphate isomerase: a theoretical comparison of alternative pathways
description
2001 nî lūn-bûn
@nan
2001 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի մարտին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Triosephosphate isomerase: a theoretical comparison of alternative pathways
@ast
Triosephosphate isomerase: a theoretical comparison of alternative pathways
@en
Triosephosphate isomerase: a theoretical comparison of alternative pathways
@nl
type
label
Triosephosphate isomerase: a theoretical comparison of alternative pathways
@ast
Triosephosphate isomerase: a theoretical comparison of alternative pathways
@en
Triosephosphate isomerase: a theoretical comparison of alternative pathways
@nl
prefLabel
Triosephosphate isomerase: a theoretical comparison of alternative pathways
@ast
Triosephosphate isomerase: a theoretical comparison of alternative pathways
@en
Triosephosphate isomerase: a theoretical comparison of alternative pathways
@nl
P356
P1476
Triosephosphate isomerase: a theoretical comparison of alternative pathways
@en
P2093
P304
P356
10.1021/JA002886C
P407
P577
2001-03-14T00:00:00Z