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Editorial Board for section 'Molecular Informatics'

Please see the section webpage for more information on this section.

Please note that the order in which the Editors appear on this page is alphabetical, and follows the structure of the editorial board presented on the MDPI website under information for editors: editorial board responsibilities.

Members

*
Website
Section Editor-in-Chief
Department of Drug Sciences, University of Catania, 95125 Catania, Italy
Interests: organic synthesis; computational chemistry; computer aided drug design; molecular modeling; computational studies of reaction mechanisms; molecular docking; QSAR; 1,3-dipolar cycloadditions
* Section: Molecular Informatics
Special Issues, Collections and Topics in MDPI journals

Website
Editorial Board Member
IMPMC, CNRS-Sorbonne Université , Paris, France
Interests: structural bioinformatics; protein domain evolution; disorder; sequence analysis; molecular modelling
Special Issues, Collections and Topics in MDPI journals

Website
Editorial Board Member
LAQV-REQUIMTE, Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, 4169-007 Porto, Portugal
Interests: theoretical and computational chemistry; electronic structure theory; quantum theory of atoms in molecules; catalysis; materials science; molecular modelling and simulations; machine learning tools
Special Issues, Collections and Topics in MDPI journals

Website
Editorial Board Member
Department of Biological Research on the Red Blood Cells, INTS, INSERM UMR_S 1134, Université de Paris, Université de la Réunion, 75739 Paris, France
Interests: structural bioinformatics; bioinformatics; next-generation sequence; drug design; deep learning
Special Issues, Collections and Topics in MDPI journals

Website
Editorial Board Member
Laboratory of Molecular Modeling and Drug Design, Lindsley F. Kimball Research Institute, New York Blood Center, New York, NY 10065, USA
Interests: rational design of antiviral drugs, e.g., virus entry/fusion inhibitors, protease inhibitors, etc.; computer-assisted drug design; structure-based drug design; ligand-based drug design; virtual screening; QSAR; 3D-QSAR; pharmacophore mapping
Special Issues, Collections and Topics in MDPI journals

Website
Editorial Board Member
Finnish Hub for Development and Validation of Integrated Approaches (FHAIVE)–Faculty of Medicine and Health Technology, Tampere University, 33100 Tampere, Finland
Interests: network medicine; predictive pharmacology; human diseases; drug repositioning; systems biology; multi-omics data analysis; biomarker discovery; disease subtype discovery
Special Issues, Collections and Topics in MDPI journals

Website
Editorial Board Member
Department of Life and Environmental Sciences, Marche Polytechnic University, 60131 Ancona, Italy
Interests: computer aided drug design; molecular dynamics simulation of membrane receptors and lipid bilayers; rational drug design; bacterial efflux pumps’ inhibitors; computational design of novel nanovectors for drug delivery
Special Issues, Collections and Topics in MDPI journals

Website
Editorial Board Member
CNR-IOM-Democritos at International School for Advanced Studies SISSA, Trieste, Italy
Interests: computational biology; medicinal chemistry; multiscale simulations; metallo proteins; RNA biology; splicing

Website
Editorial Board Member
Helmholtz Zentrum Muenchen-German Research Center for Environmental Health and BIGCHEM GmbH, Neuherberg, Germany
Interests: chemoinformatics; on-line chemical modeling environment; OCHEM; quantitative structure-activity/property relationship; QSAR/QSPR; computational chemistry; machine learning; chemical and environmental toxicology databases; e-learning; web tools

Website
Section Board Member
1. Dipartimento di Scienze della Salute, Università “Magna Græcia” di Catanzaro, 88100 Catanzaro, Italy
2. Net4Science Academic Spin-off, Università “Magna Græcia” di Catanzaro, 88100 Catanzaro, Italy
3. Associazione CRISEA: Centro di Ricerca e Servizi per l’innovazione Rurale, Condoleo di Belcastro (CZ), 88055 Belcastro, CZ, Italy
Interests: medicinal chemistry; computational chemistry; multi-target rational drug design; CADD; structural bioinformatics; chemical databases; drug discovery
Special Issues, Collections and Topics in MDPI journals

Website
Section Board Member
Retired Senior Research Scientist and Adjunct Professor, Department of Chemistry and Biochemistry, University of Minnesota Duluth, Duluth, MN 55811, USA
Interests: development of novel topological indices as molecular descriptors; computer-assisted prediction of chemical genotoxicity; structure-activity relationship (SAR) in drug design and environmental chemistry; chemical graph theory and topology; predictive toxicology; mathematical chemistry

Website
Section Board Member
Department of Biohealth Informatics, School of Informatics and Computing, Indiana University Purdue University Indianapolis (IUPUI), 535 West Michigan Street, Indianapolis, IN 46202, USA
Interests: transcriptomics; post-transcriptional regulation; RNA-binding proteins; epitranscriptomics; gene regulatory networks; systems biology; single molecule sequencing; RNA structure and interactions
Special Issues, Collections and Topics in MDPI journals

Website
Section Board Member
University of Tennessee Health Science Center, Memphis, TN, USA
Interests: bioinformatics; genomics; predictive analytics; precision medicine

Website
Section Board Member
Biomolecular Systems Modeling Laboratory, Shemyakin-Ovchinnikov Institute of Bioorganic ChemistryRussian Academy of Sciences, 117997 Moscow, Russia
Interests: biophysics; membranes; membrane proteins; NMR; molecular modeling; computer simulations
Special Issues, Collections and Topics in MDPI journals

Website
Section Board Member
Department of Mathematics, Computer Science and Physics, University of Udine, 33100 Udine, Itay
Interests: molecular dynamics simulations; free energy; entropy; implicit solvent models; protein thermodynamics; computational structural biology; biomolecular electrostatics; poisson-Boltzmann equation; generalized born models; docking; functional genomics analysis

Website
Section Board Member
Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha 410083, China
Interests: machine learning; deep learning; data mining; bioinformatics
Special Issues, Collections and Topics in MDPI journals

Website
Section Board Member
Center for Informational Biology, School of Life Science and Technology, University of Electronic Science and Technology of China, Chengdu 610054, China
Interests: protein informatics; peptide sequence analysis; machine learning application in biological macromolecular data; biomarker; protein post-translational modification site; systems biology; clinical data analysis; disease risk prediction; analysis and identification of DNA regulatory element
Special Issues, Collections and Topics in MDPI journals

Website
Section Board Member
1. Medical Faculty, Institute of Clinical Pharmacology, Goethe - University, Frankfurt am Main, Germany
2. Fraunhofer Institute for Translational Medicine and Pharmacology ITMP, Frankfurt am Main, Germany
Interests: data science; pain; clinical pharmacology
Special Issues, Collections and Topics in MDPI journals

Website
Section Board Member
Curtin Medical School, Curtin University, Perth, WA 6845, Australia
Interests: molecular dynamics simulation; biological membranes; protein structure and dynamics; protein-protein and protein-ligand interactions; structure-based drug design
Special Issues, Collections and Topics in MDPI journals

Website
Section Board Member
Genetics Department, Health Research Institute-Fundación, Jiménez Díaz (IIS-FJD, UAM), Bioinformatics Unit (IIS-FJD, UAM), Center for Biomedical Network Research on Rare Diseases (CIBERER), ISCIII, 28040 Madrid, Spain
Interests: bioinformatics; systems biology; genomics; functional genomics; genetics diseases; rare diseases; translational bioinformatics; network biology; protein post-translational modifications

Website
Section Board Member
The Digital Health Institute, I.M. Sechenov First Moscow State Medical University of the Ministry of Health of the Russian Federation (Sechenov University), 119991 Moscow, Russia
Interests: computer genomics; bioinformatics; digital medicine (e-Health); gene expression regulation; ChIP-seq
Special Issues, Collections and Topics in MDPI journals

Website
Section Board Member
Korea Institute of Toxicology, University of Science and Technology, Daejeon, Republic of Korea
Interests: bioinformatics; RNA-seq; protein-protein interaction; docking simulation; emerging viruses; predictive toxicology
Special Issues, Collections and Topics in MDPI journals

Website
Section Board Member
Applied BioSciences, Macquarie University, Sydney, NSW 2109, Australia
Interests: genome annotation; proteome informatics; structural bioinformatics; drug design; immunoinformatics
Special Issues, Collections and Topics in MDPI journals

Website
Section Board Member
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
Interests: comparative studies of completely sequenced genomes; computational analysis of functional regions and signals in biological sequences; evolutionary analysis of sequences; theoretical analysis of mutagenesis
Special Issues, Collections and Topics in MDPI journals
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