Special Issue "Computational, Structural and Spectroscopic Studies of Enzyme Mechanisms, Inhibition and Dynamics"

Guest Editor
Dr. Christo Z. Christov
Department of Biomedical 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

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
Guest Editor

Submission

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