Topical Collection "Proteins and Protein-Ligand Interactions"
Dr. Tatyana Karabencheva-Christova (Website)
Faculty of Health and Life Sciences, Department of Applied Sciences, Northumbria University, UK
Interests: computational chemical biology; enzyme mechanisms; catalytic activity and inhibition; computer-aided drug design; conformational dynamics of proteins and nucleic acids; biomolecular spectroscopy; bioinorganic enzymology
Dr. Christo Z. Christov (Website)
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
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
Proteins are biopolymers present in all living cells/organisms that take part in basically all processes in life by exerting extremely broad functional versatility such us structural, catalytic, signaling, transportational and regulatory.All protein functions are realized by highly specific and highly effective protein-ligand interactions, where ligands can be either other protein molecules, nucleic acids, lipids, small molecules, substrates, allosteric modulators, inhibitors or some drugs. Indeed the specificity of protein-ligand interactions and their regulatory mechanisms are responsible for normal cell functionality and alterations might lead to pathological processes. Knowledge about the nature of those interactions at the atomistic level and the impact of the conformational flexibility and mutational effects on them is crucially important for understanding the molecular nature of cell processes and will contribute to the fields of drug design and biotechnology.
This collection of IJMS aims to present a tribune to broad range state-of-the-art experimental or computational studies or their synergetic combination for understanding protein-ligand interactions in their very broad context. We are also looking for contributions underlining the impact of the investigated processes in biomedicine and molecular pathology as well as applications of protein-ligands interactions in biotechnology and food industry.
Dr. Tatyana Karabencheva-Christova
Dr. Christo Z. Christov
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.
- protein-protein interactions
- protein-ligand interactions
- protein-lipid complexes
- protein-nucleic acids interactions
- enzyme inhibition
- drug design
- computational modelling
- docking, binding studies