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Perspective: Defining and quantifying the role of dynamics in enzyme catalysisComputational strategies for the design of new enzymatic functionsUse of an Improved Matching Algorithm to Select Scaffolds for Enzyme Design Based on a Complex Active Site ModelCADEE: Computer-Aided Directed Evolution of Enzymes.Kemp Elimination in Cationic Micelles: Designed Enzyme-Like Rates Achieved through the Addition of Long-Chain BasesQM/MM free energy simulations: recent progress and challengesPerspective: Quantum mechanical methods in biochemistry and biophysics.Synthetic biology for the directed evolution of protein biocatalysts: navigating sequence space intelligently.Chemoenzymatic dynamic kinetic resolution: a powerful tool for the preparation of enantiomerically pure alcohols and amines.Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin.Exploring the Dependence of QM/MM Calculations of Enzyme Catalysis on the Size of the QM Region.Simulating the catalytic effect of a designed mononuclear zinc metalloenzyme that catalyzes the hydrolysis of phosphate triesters.Enzyme Architecture: Self-Assembly of Enzyme and Substrate Pieces of Glycerol-3-Phosphate Dehydrogenase into a Robust Catalyst of Hydride Transfer.Exploring the Development of Ground-State Destabilization and Transition-State Stabilization in Two Directed Evolution Paths of Kemp Eliminases.How accurate is the description of ligand-protein interactions by a hybrid QM/MM approach?Regulation and Plasticity of Catalysis in Enzymes: Insights from Analysis of Mechanochemical Coupling in Myosin.13C ENDOR Spectroscopy of Lipoxygenase-Substrate Complexes Reveals the Structural Basis for C-H Activation by Tunneling.Revealing the Origin of the Efficiency of the De Novo Designed Kemp Eliminase HG-3.17 by Comparison with the Former Developed HG-3.QM/MM free energy Simulations of an efficient Gluten Hydrolase (Kuma030) Implicate for a Reactant-State Based Protein-Design Strategy for General Acid/Base Catalysis.Dielectric Structure of Aqueous Interfaces: From Classical Non-Debye Electrostatics to a Quantum Theory of Interfacial Tension
P2860
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P2860
description
2014 nî lūn-bûn
@nan
2014 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
name
Computer aided enzyme design and catalytic concepts
@ast
Computer aided enzyme design and catalytic concepts
@en
Computer aided enzyme design and catalytic concepts
@nl
type
label
Computer aided enzyme design and catalytic concepts
@ast
Computer aided enzyme design and catalytic concepts
@en
Computer aided enzyme design and catalytic concepts
@nl
prefLabel
Computer aided enzyme design and catalytic concepts
@ast
Computer aided enzyme design and catalytic concepts
@en
Computer aided enzyme design and catalytic concepts
@nl
P2093
P2860
P3181
P1476
Computer aided enzyme design and catalytic concepts
@en
P2093
Manoj K Singh
Maria P Frushicheva
Matthew JL Mills
Patrick Schopf
Ram B Prasad
P2860
P3181
P356
10.1016/J.CBPA.2014.03.022
P407
P577
2014-08-01T00:00:00Z