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
Special Issues, Collections and Topics in MDPI journals
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
Special Issues, Collections and Topics in MDPI journals
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
Special Issues, Collections and Topics in MDPI journals
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
Special Issues, Collections and Topics in MDPI journals
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
Special Issues, Collections and Topics in MDPI journals
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
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
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
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
Special Issues, Collections and Topics in MDPI journals
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
Special Issues, Collections and Topics in MDPI journals
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
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
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
Special Issues, Collections and Topics in MDPI journals
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
Special Issues, Collections and Topics in MDPI journals
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
Special Issues, Collections and Topics in MDPI journals
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
Special Issues, Collections and Topics in MDPI journals
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
Special Issues, Collections and Topics in MDPI journals
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
Special Issues, Collections and Topics in MDPI journals
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
Special Issues, Collections and Topics in MDPI journals
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
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
Hellenic Military Academy, P.O. Box 16673 Vari, Greece
Interests: cheminformatics; nanoinformatics; machine learning; in silico drug discovery; in silico toxicology; risk assessment
Special Issues, Collections and Topics in MDPI journals
Interests: cheminformatics; nanoinformatics; machine learning; in silico drug discovery; in silico toxicology; risk assessment
Special Issues, Collections and Topics in MDPI journals
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), 119048 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
Special Issues, Collections and Topics in MDPI journals
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
Rome Center for Molecular Design, Dipartimento di Chimica e Tecnologie del Farmaco, Sapienza Università di Roma, P. le A. Moro 5, 00185 Roma, Italy
Interests: medicinal chemistry; computational chemistry; 3D-QSAR; machine learning; drug design; extraction of natural compounds; essential oil
Special Issues, Collections and Topics in MDPI journals
Interests: medicinal chemistry; computational chemistry; 3D-QSAR; machine learning; drug design; extraction of natural compounds; essential oil
Special Issues, Collections and Topics in MDPI journals
Department of Biology, University of Padova, 35131 Padova, Italy
Interests: pathways; transcriptomics; bioinformatics; data; visualization
Special Issues, Collections and Topics in MDPI journals
Interests: pathways; transcriptomics; bioinformatics; data; visualization
Special Issues, Collections and Topics in MDPI journals
Center for the Study of Systems Biology and School of Biological Sciences, Georgia Institute of Technology, 950 Atlantic Drive, NW, Atlanta, GA 30332-2000, USA
Interests: computational systems biology & bioinformatics including the development of algorithms and their application to proteomes for the prediction of protein structure and function, the prediction of small
Interests: computational systems biology & bioinformatics including the development of algorithms and their application to proteomes for the prediction of protein structure and function, the prediction of small
LAQV@REQUIMTE/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, Porto, Portugal
Interests: multi-target drug discovery; chemoinformatics; QSAR-based approaches; virtual screening; multi-scale de novo drug design; machine learning
Special Issues, Collections and Topics in MDPI journals
Interests: multi-target drug discovery; chemoinformatics; QSAR-based approaches; virtual screening; multi-scale de novo drug design; machine learning
Special Issues, Collections and Topics in MDPI journals
