Editorial Board for section 'Molecular Informatics'
- Molecular Pathology, Diagnostics, and Therapeutics Section
- Molecular Biology Section
- Biochemistry Section
- Molecular Plant Sciences Section
- Molecular Oncology Section
- Molecular Neurobiology Section
- Molecular Immunology Section
- Materials Science Section
- Molecular Genetics and Genomics Section
- Molecular Endocrinology and Metabolism Section
- Molecular Pharmacology Section
- Bioactives and Nutraceuticals Section
- Molecular Microbiology Section
- Molecular Biophysics Section
- Molecular Toxicology Section
- Macromolecules Section
- Physical Chemistry and Chemical Physics Section
- Molecular Informatics Section
- Molecular Nanoscience Section
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
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
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
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NovaMechanics Ltd, Cheminformatics & Nanoinformatics Excellence, Digeni Akrita 51, 1070 Nicosia, Cyprus
Interests: cheminformatics; nanoinformatics; virtual screening; QSAR; computer aided drug design; computational toxicology; computational nanotoxicology
Special Issues, Collections and Topics in MDPI journals
Interests: cheminformatics; nanoinformatics; virtual screening; QSAR; computer aided drug design; computational toxicology; computational nanotoxicology
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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
Interests: structural bioinformatics; protein domain evolution; disorder; sequence analysis; molecular modelling
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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
Interests: theoretical and computational chemistry; electronic structure theory; quantum theory of atoms in molecules; catalysis; materials science; molecular modelling and simulations; machine learning tools
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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
Interests: structural bioinformatics; bioinformatics; next-generation sequence; drug design; deep learning
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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
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
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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
Interests: network medicine; predictive pharmacology; human diseases; drug repositioning; systems biology; multi-omics data analysis; biomarker discovery; disease subtype discovery
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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
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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
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CNR-IOM-Democritos at International School for Advanced Studies SISSA, Trieste, Italy
Interests: computational biology; medicinal chemistry; multiscale simulations; metallo proteins; RNA biology; splicing
Interests: computational biology; medicinal chemistry; multiscale simulations; metallo proteins; RNA biology; splicing
Department of Chemistry, Bar-Ilan University, Ramat-Gan 5290002, Israel
Interests: chemoinformatics; quantitative structure activity relationship (QSAR); molecular modeling; computer aided molecular design; computational chemistry; materials informatics
Special Issues, Collections and Topics in MDPI journals
Interests: chemoinformatics; quantitative structure activity relationship (QSAR); molecular modeling; computer aided molecular design; computational chemistry; materials informatics
Special Issues, Collections and Topics in MDPI journals
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
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
Department of Pharmaceutical Sciences, Università degli Studi di Milano, via Mangiagalli 25, 20133 Milano, Italy
Interests: computational chemistry; drug design; cheminformatics; molecular docking; ADME predictions; lipophilicity
Special Issues, Collections and Topics in MDPI journals
Interests: computational chemistry; drug design; cheminformatics; molecular docking; ADME predictions; lipophilicity
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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
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
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
Special Issues, Collections and Topics in MDPI journals
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
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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
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Interests: transcriptomics; post-transcriptional regulation; RNA-binding proteins; epitranscriptomics; gene regulatory networks; systems biology; single molecule sequencing; RNA structure and interactions
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1. Institute for Maternal and Child Health—IRCCS “Burlo Garofolo”, 34137 Trieste, Italy
2. Department of Biological and Environmental Sciences, College of Arts and Sciences, Qatar University, Doha, Qatar
Interests: immunology; clinical pathology; molecular genetics; molecular biology; OMICs; bioinformatics
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2. Department of Biological and Environmental Sciences, College of Arts and Sciences, Qatar University, Doha, Qatar
Interests: immunology; clinical pathology; molecular genetics; molecular biology; OMICs; bioinformatics
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University of Tennessee Health Science Center, Memphis, TN, USA
Interests: bioinformatics; genomics; predictive analytics; precision medicine
Interests: bioinformatics; genomics; predictive analytics; precision medicine
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
Interests: biophysics; membranes; membrane proteins; NMR; molecular modeling; computer simulations
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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
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
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
Interests: machine learning; deep learning; data mining; bioinformatics
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Department of Biological Science and Technology, National Yang Ming Chiao Tung University, No. 75, Boai Street, Hsinchu 300, Taiwan
Interests: disease diagnosis; multi-omics analysis
Interests: disease diagnosis; multi-omics analysis
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 applications in biological macromolecular data; biomarker; protein post-translational modification site; systems biology; clinical data analysis; disease risk prediction; analysis and identification of DNA regulatory elements
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Interests: protein informatics; peptide sequence analysis; machine learning applications in biological macromolecular data; biomarker; protein post-translational modification site; systems biology; clinical data analysis; disease risk prediction; analysis and identification of DNA regulatory elements
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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
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2. Fraunhofer Institute for Translational Medicine and Pharmacology ITMP, Frankfurt am Main, Germany
Interests: data science; pain; clinical pharmacology
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Center for Informational Biology, School of Life Science and Technology, University of Electronic Science and Technology of China, Chengdu 611731, China
Interests: focused on developing machine learning/deep learning tools for identifying DNA, RNA, and protein modification sites, with current interest in developing computational pipelines to generate embeddings and identify cell types from single-cell Hi-C data
Special Issues, Collections and Topics in MDPI journals
Interests: focused on developing machine learning/deep learning tools for identifying DNA, RNA, and protein modification sites, with current interest in developing computational pipelines to generate embeddings and identify cell types from single-cell Hi-C data
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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
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Interests: molecular dynamics simulation; biological membranes; protein structure and dynamics; protein-protein and protein-ligand interactions; structure-based drug design
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Hellenic Military Academy, P.O. Box 16673 Vari, Greece
Interests: cheminformatics; nanoinformatics; machine learning; in silico drug discovery; in silico toxicology; risk assessment
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Interests: cheminformatics; nanoinformatics; machine learning; in silico drug discovery; in silico toxicology; risk assessment
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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
Interests: bioinformatics; systems biology; genomics; functional genomics; genetics diseases; rare diseases; translational bioinformatics; network biology; protein post-translational modifications
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
Interests: computer genomics; bioinformatics; digital medicine (e-Health); gene expression regulation; ChIP-seq
Special Issues, Collections and Topics in MDPI journals
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
Interests: bioinformatics; RNA-seq; protein-protein interaction; docking simulation; emerging viruses; predictive toxicology
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Department of Chemistry, University of Memphis, Memphis, TN 38152, USA
Interests: computer aided drug design; molecular docking; QSAR; pharmacophore modeling; virtual screening; structural bioinformatics; molecular modeling; machine learning; G protein-coupled receptors (GPCRs); medicinal chemistry
Special Issues, Collections and Topics in MDPI journals
Interests: computer aided drug design; molecular docking; QSAR; pharmacophore modeling; virtual screening; structural bioinformatics; molecular modeling; machine learning; G protein-coupled receptors (GPCRs); medicinal chemistry
Special Issues, Collections and Topics in MDPI journals
