Advisory Board and Editors Biomolecules

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Carsten Baldauf

I have studied Biochemistry at Universität Leipzig. In my Diploma thesis I started to use computer simulations (quantum chemistry) to study structure formation in non-natural peptides. I continued along these lines in my PhD studies, also in Leipzig. During a PostDoc stay at BIOTEC of TU Dresden, I started using empirical models (a.k.a. force fields) and dedicated myself to the development of structure search techniques with a focus on molecular docking. My next stop then was in Shanghai. With a Lynen Postdoc fellowship by Humboldt Foundation, I had the chance to investigate regulatory mechanisms and function of the blood protein von Willebrand factor, a key molecule in primary hemostasis. Since 2010, I am a scientist at Fritz Haber Institute (FHI) of the Max Planck Society, since 2013 I serve as a group leader in Matthias Scheffler's Theory department at FHI. Our work here deals with biomolecules in thin air (i.e. theoretical gas-phase spectroscopy of peptides and carbohydrates), large-scale overview studies on amino acid-cation structures, and organic reactions. Recently we started to also investigate biomolecules on metal surfaces. I am involved in the organization of meetings and summer schools, most importantly the Hands-On-DFT-and-Beyond series. I am also teaching at Freie Universität Berlin, where I was granted habilitation and venia legendi in 2016/17. Currently, I am a visiting professor at Universität Leipzig, acting as Chair for Theoretical Chemistry.

Anna K. Croft

Associate Professor at University of Nottingham, specialising in biological chemistry, reaction mechanisms, and ionic liquids.
Senior Lecturer in Bio-Organic Chemistry at Bangor University until 2013.

Walter F. de Azevedo Jr.

Prof. Azevedo is frontiers section editor (Bioinformatics and Biophysics) for the Current Drug Targets, section editor (Bioinformatics in Drug Design and Discovery) for the Current Medicinal Chemistry, member of the editorial board of Current Bioinformatics, academic editor for PeerJ, and editor of Docking Screens for Drug Discovery (Methods of Molecular Biology)(Springer Nature). He holds a Ph.D. in Applied Physics from the University of São Paulo (USP)(1997). During his Ph.D., he worked under the supervision of Prof. Sung-Hou Kim (University of California, Berkeley), on a split Ph.D. program with a fellowship from the Brazilian Research Council (1993-1996). His Ph.D. was about the structure of CDK2 (de Azevedo Jr. et al., 1996)(https://www.ncbi.nlm.nih.gov/pubmed/8610110). He is the coordinator of the Structural Biochemistry Laboratory at Pontifical Catholic University of Rio Grande do Sul. His research interests are interdisciplinary with two major emphases: molecular simulations and protein-ligand interactions. He published over 180 scientific papers about protein structures and computer models to assess intermolecular interactions involving proteins and potential ligands. These publications have over 4900 citations in the Web of Science (Publons h-index: 37)(https://publons.com/researcher/1890214/walter-f-de-azevedo-jr/), +5500 citations (Scopus h-index: 41)(https://www.scopus.com/authid/detail.uri?authorId=7006435557), and +7100 citations(Google Scholar h-index: 44).

Carlos Fernández Marcos

Carlos F. Marcos holds a Ph.D. in Organic Chemistry from the University of Santiago of Compostela, where he specialized in chemistry of heterocycles and total synthesis of natural products. He completed his training on the chemistry of the organometallic compounds at the University of Milan and at the Imperial College London, where he was awarded with a grant of the Human Capital and Mobility programme of the European Community.
In 1996 he joined the University of Extremadura, where he started a line of research on new sulfur heterocyclic materials, in collaboration with professors Charles Rees (Imperial College) and Tomás Torroba (UEx). From 2002, he leads a research group involved in the development of new synthetic methodologies. Throughout his career, he has supervised many research studies and has more than 50 publications indexed in frontline scientific journals. He has also made several stays as visiting professor in prestigious American and European research centres. From 2016, it holds a position as Full Professor at the University of Extremadura.
In recent years his research has focused in the chemistry of isocyanides, and especially their use to develop new tandem and multi-component processes. These synthetic strategies have proved to be a very advantageous approach to obtain organic materials with new properties, as well as compounds with biomedical interest.

Christof M Jäger

Following my undergraduate studies of Molecular Science I received my PhD in Computational Chemistry from the University of Erlangen-Nuernberg, Germany in 2010. I then worked as a Postdoc for the Cluster of Excellence Engineering Advanced Materials (EAM) until 2014, when I joined the Sustainable Process Technology (SPT)Research Group in in the Faculty of Engineering of the University of Nottingham.

My research activities all share the motivation to bring the power of computational chemistry to new chemical problems, to fundamentally understand properties and functions of organic (macro)molecules, to reveal hidden chemical questions and to promote solutions for chemical challenges.

My research experience includes Molecular Dynamics simulations, semi-empirical Molecular Orbital Theory, DFT and ab initio methods and force field development. Past projects involved multi-disciplinary research in the areas of bio-organic, colloid, and radical chemistry, molecular self-assembly, ion effects, and molecular electronics in organic electronic devices.

In Nottingham my research focuses on the development and application of efficient computational approaches for their use in enzyme driven biotechnology in order to discover sustainable routes for manufacturing fine chemicals and novel antibiotic drugs.

Sanket J. Joshi

Sanket Joshi is Deputy Director, Oil & Gas Research Center, and an Application
Specialist, Oil & Gas Science, Central Analytical and Applied Research Unit, at Sultan Qaboos University, Oman. He holds PhD in Microbiology, from M. S. University of Baroda, India. He has rich experience in research and management positions in academics and Industrial Fermentation R & D units, in India and Oman. In industry, he worked on several turnkey projects for β-lactams, Macrolides, Antidiabetic drug (for type II diabetes), and Glycopeptides. His current research encompasses energy (Biosurfactants, Biopolymers, Biogas, Microbial Enhanced Oil Recovery; Chemical Enhanced Oil Recovery; Biofuels), environmental bioremediation (oil pollution; Control of souring by Sulfate-reducing bacteria (SRB); HPAM contaminated sites), Molecular Biology, and green synthesis of nanoparticles and its applications.

Leonidas Matsakas

Dr. Matsakas is currently Senior Lecturer at the Biochemical Process Engineering at Luleå University of Technology (Sweden). He received his PhD in Industrial Biotechnology from the school of Chemical Engineering at National Technical University of Athens (Greece) in 2015. His main research activities focus on the development of methods for the pretreatment and fractionation of lignocellulosic and aquatic biomass and the subsequent conversion of the cellulose, hemicellulose and lignin streams to biofuels, bio-based chemicals and bio-materials through biochemical and (thermo)chemical methods. He is also actively working on the development of mixotrophic and heterotrophic microalgae biorefinery processes for the production of high-added value compounds, such as omega-3 PUFAs, pigments and protein.

Elena Papaleo

Elena Papaleo completed her PhD in 2006 and Post-doctoral from 2007-2009 at the Department of Biotechnology and Bioscience at the University of Milano-Bicocca (Italy) in the group of Prof. Luca De Gioia and Prof. Piercarlo Fantucci. She was then appointed as Adjunct Professor in Computational Biology at the University of Milano-Bicocca from 2010-2012. Afterwards, she was Senior Post-Doctoral Researcher in the group of Prof. Lindorff-Larsen at the Department of Biology of the University of Copenhagen (Denmark) from 2011-2015. She has been Visiting Researcher at many international institutes including the group of Prof. Salvador Ventura at the Institute of Biotechnology and Biomedicine (IBB, Barcelona, Spain) and the group of Prof. Francesco Luigi Gervasio at the Spanish National Cancer Research Center (CNIO, Madrid, Spain). In August 2015, she joined as Group Leader of the Computational Biology (CBL) Laboratory at the Danish Cancer Society Research Center (Copenhagen, Denmark). In 2018, she also become Associate Professor at the University of Copenhagen (Center for Protein Research). She has authored more than 90 publications, of which 50 scientific papers as main or senior author and she is Academic Editor of PLOS One, Frontiers in Molecular Biosciences, PeerJ, and Journal of Molecular Graphics and Modelling.

Frances Separovic

Professor and past Head of Chemistry, University of Melbourne. Biophysical Society Council (2007-10), Secretary (2015-2019); IUPAB Council (2002-05); Australian Society for Biophysics, ASB President (1999-2001); Australian New Zealand Society for Magnetic Resonance, ANZMAG President (2011-13); Editorial board of Accounts in Chemical Research; ASB Robertson Medal (2009); ANZMAG Medal (2011); Fellow of Biophysical Society, Fellow of Australian Academy of Science, ISMAR Fellow (2012); IUPAC Distinguished Women of Chemistry/Chemical Engineering (2017).

Pedro J. Silva

I was originally raised as en experimental Biochemist. My PhD research centered on the biochemical characterization of the soluble hydrogenase of the hyperthermophile Pyrococcus furiosus. Eventually, the research focus broadened to include other metalloproteins from P. furiosus, which were characterized by biochemical, electrochemical and spectroscopic methods (electron paramagnetic resonance, UV-Vis spectroscopy, cofactor analysis, bioinformatics, enzymology, etc.).

After completing my PhD, I became an Assistant Professor at Universidade Fernando Pessoa (Porto, Portugal), where I am now an Associate Professor. My research focus then moved to the computational study of enzymatic and organic reaction mechanisms using quantum chemistry and molecular dynamics methods.

I have been an Academic Editor for PeerJ since September 2015, and Section Editor for its "Biochemistry, Biophysics and Molecular Biology" section since its creation in February 2018.

Nikolajs Sjakste

Experience

1978 -1987; Researcher in the Cancer Cell Chemistry Laboratory, Institute of Experimental and Clinical Medicine, Riga, Latvia.
Professor of Medical Biochemistry and Medical Genetics, University of Latvia, Faculty of Medicine (since 1998). Address: Jelgavas Street 1, Riga LV1004 Latvia. Chief of the Department of Medical Biochemistry (2011).
Leading researcher (since 2011) and Head of the Biochemistry Group, Department of Medicinal Chemistry, Latvian Institute of Organic Synthesis (since 1990).
1995 and 1997 “Red position” of CNRS 1993-1998; Institut Jacques Monod, Université Paris VII, Laboratoire de Biochimie de Différentiation, Paris, France.

Education:

Degree of Doctor of Biological Sciences (Dr. habil.), 1992, Institute of Experimental Medicine, St.-Petersburg, Russia. Degree of Candidate of Biological Sciences (Ph. D.), 1984, Cancer Research Centre, Moscow, Russia. Diploma with Distinction in Medical Biophysics, graduated from the Medico-Biological faculty of the 2nd Moscow Medical Institute, Moscow, Russia, 1978.