(Q37146653)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18433643%20AND%20SRC:MED&resulttype=core&format=json

6 January 2020

review article

1 reference

title

Nitric oxide reactivity with globins as investigated through computer simulation (English)

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18433643%20AND%20SRC:MED&resulttype=core&format=json

6 January 2020

1 reference

1

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6 January 2020

Axel Bidon-Chanal

3

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6 January 2020

Victor Guallar

5

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6 January 2020

F. Javier Luque

6

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6 January 2020

Darío A. Estrin

7

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6 January 2020

author name string

Luciana Capece

2

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6 January 2020

Alejandro Crespo

4

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6 January 2020

language of work or name

English

0 references

publication date

1 January 2008

1 reference

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6 January 2020

published in

Methods in Enzymology

1 reference

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6 January 2020

volume

437

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6 January 2020

page(s)

477-498

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Essential dynamics of proteins

6 January 2020

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7 January 2021

Molecular dynamics with coupling to an external bath

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7 January 2021

Ligand-induced dynamical regulation of NO conversion in Mycobacterium tuberculosis truncated hemoglobin-N

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7 January 2021

A theoretical study of myoglobin working as a nitric oxide scavenger

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7 January 2021

Knowledge-based prediction of protein structures and the design of novel molecules

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7 January 2021

PELE: Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique.

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7 January 2021

The structural dynamics of myoglobin

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7 January 2021

Heme protein oxygen affinity regulation exerted by proximal effects

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7 January 2021

Structure of a ligand-binding intermediate in wild-type carbonmonoxy myoglobin

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7 January 2021

Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin

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7 January 2021

Crystal structures of ferrous horse heart myoglobin complexed with nitric oxide and nitrosoethane

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7 January 2021

Multiple-steering QM-MM calculation of the free energy profile in chorismate mutase

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7 January 2021

Theoretical Study of the Truncated Hemoglobin HbN: Exploring the Molecular Basis of the NO Detoxification Mechanism

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7 January 2021

A DFT-Based QM-MM Approach Designed for the Treatment of Large Molecular Systems: Application to Chorismate Mutase

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7 January 2021

The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes

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7 January 2021

Computational design of a biologically active enzyme

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7 January 2021

Mechanism of NO-induced oxidation of myoglobin and hemoglobin

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7 January 2021

Proximal effects in the modulation of nitric oxide synthase reactivity: a QM-MM study

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7 January 2021

Spin-dependent mechanism for diatomic ligand binding to heme

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7 January 2021

Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis

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7 January 2021

Steady-state and Transient Kinetics ofEscherichia coliNitric-oxide Dioxygenase (Flavohemoglobin)

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7 January 2021

Hemoglobins dioxygenate nitric oxide with high fidelity

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7 January 2021

Cytochrome P450CAM enzymatic catalysis cycle: a quantum mechanics/molecular mechanics study

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7 January 2021

Free energy reconstruction from nonequilibrium single-molecule pulling experiments

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7 January 2021

On the Role of the Crystal Environment in Determining Protein Side-chain Conformations

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7 January 2021

Nonequilibrium Equality for Free Energy Differences

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7 January 2021

Molecular dynamics simulations in biology

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7 January 2021

All-atom empirical potential for molecular modeling and dynamics studies of proteins

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7 January 2021

Two distinct heme distal site states define Cerebratulus lacteus mini-hemoglobin oxygen affinity

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7 January 2021

Nitric oxide interaction with cytochrome c' and its relevance to guanylate cyclase. Why does the iron histidine bond break?

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7 January 2021

Dioxygen affinity in heme proteins investigated by computer simulation

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7 January 2021

Mycobacterium tuberculosis hemoglobin N displays a protein tunnel suited for O2 diffusion to the heme

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7 January 2021

Myoglobin discriminates between O2, NO, and CO by electrostatic interactions with the bound ligand

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7 January 2021

Exploring protein native states and large-scale conformational changes with a modified generalized born model

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7 January 2021

Truncated hemoglobin HbN protects Mycobacterium bovis from nitric oxide

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7 January 2021

Calculating potentials of mean force from steered molecular dynamics simulations

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7 January 2021

Generalized Gradient Approximation Made Simple

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7 January 2021

Mapping the pathways for O2 entry into and exit from myoglobin.

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7 January 2021

The SIESTA method forab initioorder-Nmaterials simulation

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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

10.1016/S0076-6879(07)37024-9

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18433643%20AND%20SRC:MED&resulttype=core&format=json

6 January 2020

1 reference