Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling (Q28264373)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26132652 AND SRC:MED&resulttype=core&format=json

14 June 2020

Alexander V. Nemukhin

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26132652 AND SRC:MED&resulttype=core&format=json

14 June 2020

Walter Thiel

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26132652 AND SRC:MED&resulttype=core&format=json

14 June 2020

author name string

Tatiana Vasilevskaya

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26132652 AND SRC:MED&resulttype=core&format=json

Journal of Computational Chemistry

14 June 2020

language of work or name

English

0 references

publication date

5 August 2015

0 references

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26132652 AND SRC:MED&resulttype=core&format=json

14 June 2020

volume

36

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26132652 AND SRC:MED&resulttype=core&format=json

14 June 2020

issue

21

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26132652 AND SRC:MED&resulttype=core&format=json

14 June 2020

page(s)

1621-1630

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26132652 AND SRC:MED&resulttype=core&format=json

Tumour microenvironment - opinion: validating matrix metalloproteinases as drug targets and anti-targets for cancer therapy.

14 June 2020

cites work

1 reference

Catalytic mechanism of matrix metalloproteinases: two-layered ONIOM study

21 January 2018

1 reference

Kinetic and binding effects in peptide substrate selectivity of matrix metalloproteinase-2: Molecular dynamics and QM/MM calculations

21 January 2018

1 reference

Computational characterization of ketone-ketal transformations at the active site of matrix metalloproteinases.

21 January 2018

1 reference

Exploration of the zinc finger motif in controlling activity of matrix metalloproteinases.

21 January 2018

1 reference

Mutation of the active site glutamic acid of human gelatinase A: effects on latency, catalysis, and the binding of tissue inhibitor of metalloproteinases-1.

21 January 2018

1 reference

Peptide hydrolysis catalyzed by matrix metalloproteinase 2: a computational study

21 January 2018

1 reference

VMD: visual molecular dynamics

21 January 2018

1 reference

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

21 January 2018

1 reference

Scalable molecular dynamics with NAMD

21 January 2018

1 reference

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

21 January 2018

1 reference

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

Electronic structure calculations on workstation computers: The program system turbomole

21 January 2018

1 reference

DL_POLY_2.0: a general-purpose parallel molecular dynamics simulation package

21 January 2018

1 reference

Natural triple excitations in local coupled cluster calculations with pair natural orbitals

21 January 2018

1 reference

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

21 January 2018

1 reference

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

21 January 2018

1 reference

An Efficient Real Space Multigrid QM/MM Electrostatic Coupling

21 January 2018

1 reference

Canonical sampling through velocity rescaling

21 January 2018

1 reference

pH- and temperature-dependence of functional modulation in metalloproteinases. A comparison between neutrophil collagenase and gelatinases A and B.

21 January 2018

1 reference

Key feature of the catalytic cycle of TNF-alpha converting enzyme involves communication between distal protein sites and the enzyme catalytic core

21 January 2018

1 reference

21 January 2018

The ORCA program system

1 reference

QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

21 January 2018

1 reference

Linear scaling geometry optimisation and transition state search in hybrid delocalised internal coordinates

21 January 2018

1 reference

Snapshots of the Reaction Mechanism of Matrix Metalloproteinases

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.23977

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26132652 AND SRC:MED&resulttype=core&format=json

journals/jcc/VasilevskayaKNT15

14 June 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference