Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
about
A Critical Test of the Electrostatic Contribution to Catalysis with Noncanonical Amino Acids in Ketosteroid IsomeraseDissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs.Solid-State 17 O NMR Reveals Hydrogen-Bonding Energetics: Not All Low-Barrier Hydrogen Bonds Are Strong.From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics.Electric Fields and Fast Protein Dynamics in Enzymes.A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils.Symmetry and dynamics of FHF- anion in vacuum, in CD2Cl2 and in CCl4. Ab initio MD study of fluctuating solvent-solute hydrogen and halogen bonds.A New Potent Inhibitor of Glycogen Phosphorylase Reveals the Basicity of the Catalytic Site.Theory-Based Extension of the Catalyst Scope in the Base-Catalyzed Hydrogenation of Ketones: RCOOH-Catalyzed Hydrogenation of Carbonyl Compounds with H2 Involving a Proton Shuttle.Enzymatic Kinetic Isotope Effects from Path-Integral Free Energy Perturbation Theory.Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.Testing the nature of reaction coordinate describing interaction of H2 with carbonyl carbon, activated by Lewis acid complexation, and the Lewis basic solvent: A Born-Oppenheimer molecular dynamics study with explicit solvent.Hydration effect on proton transfer in melamine-cyanuric acid complex.Isotopic fractionation in proteins as a measure of hydrogen bond length.Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials.
P2860
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P2860
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
description
2014 nî lūn-bûn
@nan
2014 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի դեկտեմբերին 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
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
@ast
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
@en
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
@nl
type
label
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
@ast
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
@en
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
@nl
prefLabel
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
@ast
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
@en
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
@nl
P2860
P356
P1476
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.
@en
P2093
Stephen D Fried
Steven G Boxer
P2860
P304
18454-18459
P356
10.1073/PNAS.1417923111
P407
P577
2014-12-12T00:00:00Z
P5875
P698
P818
1501.00241