Topical Collection "Computational, Structural and Spectroscopic Studies of Enzyme Mechanisms, Inhibition and Dynamics"

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A topical collection in International Journal of Molecular Sciences (ISSN 1422-0067). This collection belongs to the section "Physical Chemistry, Theoretical and Computational Chemistry".

Editor

Collection Editor
Dr. Christo Z. Christov
Senior Lecturer in Computational Biochemistry Department of Applied Sciences, Faculty of Health and Life Sciences, Northumbria University Ellison Building, Newcastle-upon-Tyne, NE1 8ST, UK
Website: http://www.northumbria.ac.uk/sd/academic/lifesciences/ad/biomed/staff/cchristov/
E-Mail: christo.christov@northumbria.ac.uk
Phone: +44 191 243 7964
Fax: +44 191 227 3519
Interests: computational biomolecular science; enzyme mechanisms; protein conformational dynamics; biomolecular spectroscopy; combined quantum mechanical and molecular mechanical methods (QM/MM); quantum chemistry; molecular dynamics; protein-ligands interactions; bioinorganic electronic structure and mechanisms

Topical Collection Information

Dear Colleagues,

Enzymes are in the center of biochemical processes. They catalyze largest part of all chemical reactions in the living organisms (from viruses to human) and are characterized by unique capabilities to accelerate the reaction rates and to catalyze specific or very selective number of chemical transformations. Not surprisingly the enzymes received massive application in biomedicine, pharmacy, biotechnological and chemical industry.

The current progress in understanding enzymes underlines the new perspective of their applications and utilization in important areas for us. There is vastly growing amount of novel structures, spectroscopic data about intermediates, novel inhibitors synthesized and even enzymes with novel functions engineered.

The current thematic issue of International Journal of Molecular Sciences titled “Computational, Structural and Spectroscopic Studies of Enzyme Mechanisms, Inhibition and Dynamics” is focused on high quality studies by broad range of experimental and computational methods. Contributions focused on integrated modelling/experimental or combination between different experimental methods and the multilevel applications of computational methods are very welcome as well. Highly valued will be combined fundamental and innovative contributions focused on the applications of the enzyme mechanisms and in the all areas with impact for the society: industry, health, food etc. Finally we would like to support strengthen, develop, demonstrate and facilitate the independence of thinking, creativity, initiative of researchers at all levels.

Dr. Christo Z. Christov
Collection Editor

Manuscript Submission Information

Manuscripts for the topical collection can be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on this website. The topical collection considers regular research articles, short communications and review articles. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1600 CHF (Swiss Francs).

Keywords

  • enzyme mechanisms
  • computational modeling
  • qm / mm
  • molecular dynamics
  • enzyme spectroscopy
  • quantum mechanics
  • enzyme inhibition
  • enzyme crystallography

Published Papers (22 papers)

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2014  ( 16 papers )


2013  ( 6 papers )


2014
by , , ,  and
Int. J. Mol. Sci. 2014, 15(11), 20403-20412; doi:10.3390/ijms151120403
Received: 28 August 2014; in revised form: 24 September 2014 / Accepted: 23 October 2014 / Published: 6 November 2014
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by , , ,  and
Int. J. Mol. Sci. 2014, 15(10), 17284-17303; doi:10.3390/ijms151017284
Received: 23 June 2014; in revised form: 11 September 2014 / Accepted: 15 September 2014 / Published: 26 September 2014
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by , , , ,  and
Int. J. Mol. Sci. 2014, 15(9), 17188-17203; doi:10.3390/ijms150917188
Received: 8 July 2014; in revised form: 18 September 2014 / Accepted: 22 September 2014 / Published: 25 September 2014
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by , , ,  and
Int. J. Mol. Sci. 2014, 15(8), 14153-14165; doi:10.3390/ijms150814153
Received: 1 March 2014; in revised form: 5 June 2014 / Accepted: 19 July 2014 / Published: 14 August 2014
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by , , ,  and
Int. J. Mol. Sci. 2014, 15(6), 10459-10478; doi:10.3390/ijms150610459
Received: 31 March 2014; in revised form: 27 May 2014 / Accepted: 28 May 2014 / Published: 11 June 2014
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by , , ,  and
Int. J. Mol. Sci. 2014, 15(6), 10271-10295; doi:10.3390/ijms150610271
Received: 24 March 2014; in revised form: 30 May 2014 / Accepted: 30 May 2014 / Published: 10 June 2014
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by ,  and
Int. J. Mol. Sci. 2014, 15(6), 10410-10423; doi:10.3390/ijms150610410
Received: 14 February 2014; in revised form: 12 May 2014 / Accepted: 20 May 2014 / Published: 10 June 2014
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by , , , ,  and
Int. J. Mol. Sci. 2014, 15(6), 9224-9241; doi:10.3390/ijms15069224
Received: 17 January 2014; in revised form: 6 May 2014 / Accepted: 9 May 2014 / Published: 26 May 2014
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by , ,  and
Int. J. Mol. Sci. 2014, 15(3), 5128-5139; doi:10.3390/ijms15035128
Received: 30 January 2014; in revised form: 13 March 2014 / Accepted: 13 March 2014 / Published: 24 March 2014
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by , , ,  and
Int. J. Mol. Sci. 2014, 15(3), 4878-4902; doi:10.3390/ijms15034878
Received: 19 December 2013; in revised form: 21 February 2014 / Accepted: 28 February 2014 / Published: 19 March 2014
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by ,  and
Int. J. Mol. Sci. 2014, 15(2), 3253-3261; doi:10.3390/ijms15023253
Received: 14 January 2014; in revised form: 12 February 2014 / Accepted: 14 February 2014 / Published: 21 February 2014
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by ,  and
Int. J. Mol. Sci. 2014, 15(2), 3064-3087; doi:10.3390/ijms15023064
Received: 27 November 2013; in revised form: 25 December 2013 / Accepted: 22 January 2014 / Published: 20 February 2014
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by , ,  and
Int. J. Mol. Sci. 2014, 15(2), 2794-2810; doi:10.3390/ijms15022794
Received: 29 November 2013; in revised form: 18 January 2014 / Accepted: 7 February 2014 / Published: 18 February 2014
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by , , , , ,  and
Int. J. Mol. Sci. 2014, 15(2), 2223-2236; doi:10.3390/ijms15022223
Received: 25 December 2013; in revised form: 21 January 2014 / Accepted: 22 January 2014 / Published: 31 January 2014
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by , ,  and
Int. J. Mol. Sci. 2014, 15(2), 1826-1841; doi:10.3390/ijms15021826
Received: 13 November 2013; in revised form: 14 January 2014 / Accepted: 15 January 2014 / Published: 24 January 2014
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by , ,  and
Int. J. Mol. Sci. 2014, 15(1), 1358-1373; doi:10.3390/ijms15011358
Received: 10 December 2013; in revised form: 2 January 2014 / Accepted: 7 January 2014 / Published: 20 January 2014
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2013
by ,  and
Int. J. Mol. Sci. 2014, 15(1), 401-422; doi:10.3390/ijms15010401
Received: 11 November 2013; in revised form: 5 December 2013 / Accepted: 24 December 2013 / Published: 31 December 2013
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by , ,  and
Int. J. Mol. Sci. 2013, 14(12), 24692-24705; doi:10.3390/ijms141224692
Received: 13 October 2013; in revised form: 27 November 2013 / Accepted: 29 November 2013 / Published: 18 December 2013
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by , , , ,  and
Int. J. Mol. Sci. 2013, 14(11), 22741-22752; doi:10.3390/ijms141122741
Received: 9 October 2013; in revised form: 31 October 2013 / Accepted: 12 November 2013 / Published: 19 November 2013
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by , , , , ,  and
Int. J. Mol. Sci. 2013, 14(8), 16882-16900; doi:10.3390/ijms140816882
Received: 8 May 2013; in revised form: 1 August 2013 / Accepted: 2 August 2013 / Published: 16 August 2013
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by , , , , , ,  and
Int. J. Mol. Sci. 2013, 14(6), 12661-12674; doi:10.3390/ijms140612661
Received: 15 April 2013; in revised form: 2 June 2013 / Accepted: 3 June 2013 / Published: 17 June 2013
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by , , , ,  and
Int. J. Mol. Sci. 2013, 14(5), 9947-9962; doi:10.3390/ijms14059947
Received: 28 March 2013; in revised form: 27 April 2013 / Accepted: 6 May 2013 / Published: 10 May 2013
Show/Hide Abstract | Cited by 4 | PDF Full-text (837 KB) | HTML Full-text | XML Full-text | Supplementary Files

Last update: 9 May 2014

Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert