(Q35053357)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547438%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

review article

1 reference

title

Combined quantum and molecular mechanics calculations on metalloproteins (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547438%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

1 reference

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547438%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

author name string

Ulf Ryde

series ordinal

1

1 reference

6 August 2017

publication date

1 February 2003

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547438%20AND%20SRC:MED&resulttype=core&format=json

Current Opinion in Chemical Biology

17 December 2019

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547438%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

volume

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547438%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

issue

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547438%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

page(s)

136-142

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547438%20AND%20SRC:MED&resulttype=core&format=json

Density functional theory of biologically relevant metal centers

17 December 2019

cites work

1 reference

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7 January 2021

Transition-metal systems in biochemistry studied by high-accuracy quantum chemical methods

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7 January 2021

Theoretical study of the discrimination between O(2) and CO by myoglobin

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7 January 2021

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

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7 January 2021

Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems

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7 January 2021

Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions

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7 January 2021

New developments in applying quantum mechanics to proteins.

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7 January 2021

Quantum mechanical methods for enzyme kinetics

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7 January 2021

Simulating enzyme reactions: challenges and perspectives

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7 January 2021

Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

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7 January 2021

A QM/MM study of the racemization of vinylglycolate catalyzed by mandelate racemase enzyme

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7 January 2021

The Reaction Mechanism of Bovine Lens Leucine Aminopeptidase

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7 January 2021

Catalytic mechanism of matrix metalloproteinases: two-layered ONIOM study

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7 January 2021

A comparative study of galactose oxidase and active site analogs based on QM/MM Car-Parrinello simulations.

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7 January 2021

Quantum Dynamics of Hydride Transfer in Enzyme Catalysis

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7 January 2021

Canonical Variational Theory for Enzyme Kinetics with the Protein Mean Force and Multidimensional Quantum Mechanical Tunneling Dynamics. Theory and Application to Liver Alcohol Dehydrogenase

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7 January 2021

Modeling the bacterial photosynthetic reaction center. 4. The structural, electrochemical, and hydrogen-bonding properties of 22 mutants of Rhodobacter sphaeroides

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7 January 2021

The importance of porphyrin distortions for the ferrochelatase reaction

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7 January 2021

Effects of the protein environment on the structure and energetics of active sites of metalloenzymes. ONIOM study of methane monooxygenase and ribonucleotide reductase

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7 January 2021

Inner-sphere reorganization energy of iron-sulfur clusters studied with theoretical methods

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7 January 2021

Quantum chemical geometry optimizations in proteins using crystallographic raw data

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7 January 2021

Reversible dioxygen binding to hemerythrin

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7 January 2021

Influence of the heme pocket conformation on the structure and vibrations of the Fe-CO bond in myoglobin: a QM/MM density functional study

1 reference

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7 January 2021

On the significance of hydrogen bonds for the discrimination between CO and O2 by myoglobin

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7 January 2021

Molecular dynamics simulations of the mononuclear zinc-beta-lactamase from Bacillus cereus.

1 reference

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7 January 2021

The elusive oxidant species of cytochrome P450 enzymes: characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations

1 reference

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7 January 2021

Elucidating the nature of enzyme catalysis utilizing a new twist on an old methodology: quantum mechanical-free energy calculations on chemical reactions in enzymes and in aqueous solution

1 reference

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7 January 2021

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

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7 January 2021

Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches

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7 January 2021

Polarizable force fields

1 reference

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7 January 2021

10.1016/S1367-5931(02)00016-9

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547438%20AND%20SRC:MED&resulttype=core&format=json

release_zjzrxcxsdffl7dgukpeugjqjza

17 December 2019

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/zjzrxcxsdffl7dgukpeugjqjza

24 November 2022

mapped directly with Wikidata item

1 reference