Molecular Informatics
A section of International Journal of Molecular Sciences (ISSN 1422-0067).
Section Information
This section of the International Journal of Molecular Sciences (IJMS) aims to publish contributions on all molecular aspects of informatics, genome bioinformatics, molecular modeling, structural biology, bio/chemo/materials informatics, computer-aided molecular/drug design, etc. We encourage submissions focus on but are not limited to the following topics:
- Drug discovery and chemical biology
- Protein and nucleic acid engineering and design
- The design of nanomolecular structures
- Strategies for modeling of macromolecular assemblies
- Molecular networks and systems
- Pharmaco- and chemogenomics
- Chemical information systems, toolboxes, software packages
- Database construction, web-based platforms and tools, novel algorithms
- Computer-aided drug design
- QSAR, QSPR, and data mining techniques
- Molecular docking and virtual screening
- Molecular modeling
- Molecular dynamics simulations
- Free energy calculations
- Genome assembling, annotation, and integrated analysis
- Comparative genomics
- Sequence analysis
- Analysis and modelling of complex systems
Please kindly note: New methods must be compared to existing state-of-the-art methods, using real biological data. The inclusion of experimental data is very much encouraged.
Keywords:
molecular informatics; bioinformatics; pharmacoinformatics; chemoinformatics; materials informatics; chemical informatics; structural bioinformatics; QSAR; QSPR; data mining; substructure search; chemical reaction database; chemical substance database; drug design; molecular docking; virtual screening; molecular modeling; molecular simulation; molecular dynamics; molecular mechanics; free energy calculation; protein-protein interaction; protein-ligand interaction; protein–DNA interaction; protein–RNA interaction; protein modeling; protein engineering; nucleic acid engineering; pharmacogenomics; chemogenomics; systems biology; small molecules; macromolecular complexes; molecular networks; genome assembling; gene expression; genome analysis; structural analysis; networks analysis; comparative genomics; sequence analysis; genome annotation; analysis of protein expression; analysis of protein localization
Editorial Board
Topical Advisory Panel
Special Issues
Following special issues within this section are currently open for submissions:
- Chemoinformatics and Bioinformatics Tools in Structure-Activity Modelling in Molecular Sciences 2.0 (Deadline: 30 September 2023)
- The Development and Application of Computational Models for Identifying Disease Markers (Deadline: 30 September 2023)
- Deep Learning in Bioinformatics and Biological Data Analysis (Deadline: 30 September 2023)
- Computational, Digital and Spatial Biology Tools for Molecular Study of Renal Diseases (Deadline: 30 September 2023)
- Machine Learning Applications in Bioinformatics and Biomedicine (Deadline: 30 September 2023)
- Comparative Genomics and Functional Genomics Analysis of Horticulture Plants 2022 (Deadline: 30 September 2023)
- Artificial Intelligence in Biomarker Discovery 2.0 (Deadline: 30 September 2023)
- Artificial Intelligence/ML in Molecular Cancer Research (Deadline: 30 September 2023)
- Metabolomic Approaches to Bioactive Molecules Discovery (Deadline: 30 September 2023)
- Mass Spectrometry in Molecular Biology (Deadline: 30 September 2023)
- Cancer Bioinformatics (Deadline: 15 October 2023)
- Multi-Omics in Brain Health and Disease (Deadline: 15 October 2023)
- Integration and Understanding of the Regulatory System of Human Disease (Deadline: 15 October 2023)
- Plant Omics: Sensing, Signaling, Regulation and Homeostasis (Deadline: 31 October 2023)
- RNA-Seq in Human Health and Disease (Deadline: 31 October 2023)
- Unlocking Environmental Genomics and Transcriptomics: Advancements in Environmental DNA and RNA (Deadline: 31 October 2023)
- New Insights in Translational Bioinformatics (Deadline: 31 October 2023)
- Machine Learning and Bioinformatics in Human Health and Disease (Deadline: 31 October 2023)
- How Are Predicted Protein Structures Advancing the Development of New Drugs? (Deadline: 31 October 2023)
- Recent Advance in Protein Dynamics (Deadline: 31 October 2023)
- New Insights into Proteomics in Disease (Deadline: 31 October 2023)
- Advanced In Silico Methods and Digital Platforms for Rational Drug Design and Predictive Toxicology (Deadline: 15 November 2023)
- Computational Medicine and Bioinformatics Research (Deadline: 15 November 2023)
- A Commemorative Issue Honoring Biomolecular Scientists in the Post-COVID-19 Pandemic Era (Deadline: 20 November 2023)
- Proteomics in Human Diseases (Deadline: 26 November 2023)
- Advances in Horticultural Research Based on Multi-Omics and Computational Biology (Deadline: 30 November 2023)
- Deep Learning for Modeling the Structure, Dynamics, and Function of Small and Large Molecules (Deadline: 30 November 2023)
- Immunoanalytical and Bioinformatics Methods in Immunology Research (Deadline: 30 November 2023)
- Cheminformatics in Drug Discovery and Material Design (Deadline: 30 November 2023)
- Advanced Research in Molecular Modeling of Protein Structure and Functions (Deadline: 30 November 2023)
- Advanced Research in Prediction of Protein Structure and Function (Deadline: 15 December 2023)
- Structural Bioinformatics: Molecular Regulation of Drug Design and Targeted Therapy in Human Health (Deadline: 25 December 2023)
- Latest Advances in Proteomics in De- and Recellularized Tissue (Deadline: 30 December 2023)
- Design and Synthesis of Matrix Metalloproteinase Inhibitors (Deadline: 31 December 2023)
- Virus Entry Inhibitors (Deadline: 31 December 2023)
- Recent Progress in Discovery and Designs of Multi-Target-Directed Drugs/Inhibitors (Deadline: 31 December 2023)
- Study of Protein–Ligand Interactions by 2D and 3D Techniques (Deadline: 31 December 2023)
- Advances in Elucidating Disease Mechanisms and Designing Therapeutics Using Computer-Aided Simulations and Modeling (Deadline: 31 December 2023)
- Molecular Advances and Emerging Trends of Radiomics in Oncology (Deadline: 31 December 2023)
- Molecular Simulation of Protein Structure and Interactions (Deadline: 31 December 2023)
- Computational Studies of Drugs and Biomolecules 2.0 (Deadline: 31 December 2023)
- Protein-Ligand Interactions: Recent Advances in Biophysics, Biochemistry, and Bioinformatics (Deadline: 15 January 2024)
- The Role of Omics and Artificial Intelligence for the Personalized Management of Inflammatory and Neoplastic Digestive Diseases (Deadline: 15 January 2024)
- Molecular Advances in Protein-Ligand Interactions (Deadline: 30 January 2024)
- Biomedical Applications of Molecular Simulation and Machine Learning in Disease Modeling and Drug Repurposing (Deadline: 31 January 2024)
- Molecular Advances of Mass Spectrometry in Rapid Cancer Detection and Treatment (Deadline: 31 January 2024)
- Antifungal Drug Design, Synthesis and Molecular Mechanisms (Deadline: 31 January 2024)
- Structural and Functional Analysis of Amino Acids and Proteins (Deadline: 31 January 2024)
- Computational Modelling and Molecular Dynamics Simulations of Biological Systems (Deadline: 31 January 2024)
- High-Throughput Sequencing Data Analysis for Industrial Applications (Deadline: 31 January 2024)
- Molecular Dynamics Simulation and Computer-Aided Screening of Natural Compounds (Deadline: 31 January 2024)
- Computational Intelligence and Biochemical Approaches towards Drug Discovery, Molecular Docking and Tissue Engineering (Deadline: 31 January 2024)
- Bioinformatics Study in Human Diseases: Integration of Omics Data for Personalized Medicine (Deadline: 31 January 2024)
- Special Protein or RNA Molecules Computational Identification 2024 (Deadline: 31 January 2024)
- Mass Spectrometric Proteomics 3.0 (Deadline: 31 January 2024)
- Recent Advances of Proteomics in Human Health and Disease (Deadline: 15 February 2024)
- Advances in AI and Machine Learning for the Analysis of -Omics and Complex Molecular Data (Deadline: 20 February 2024)
- Computer-Aided Drug Design Strategies (Deadline: 25 February 2024)
- New Avenues in Molecular Docking for Drug Design 2023 (Deadline: 25 February 2024)
- Advances in the Molecular Biology of Proteins in Drug Research (Deadline: 25 February 2024)
- Role of Molecular Dynamics Simulations and Related Methods in Drug Discovery (Deadline: 29 February 2024)
- Structural and Functional Prediction of RNA and Proteins (Deadline: 29 February 2024)
- Small Molecules: From Design, Synthesis and Characterization to Pharmacological Functional Analysis (Deadline: 29 February 2024)
- Machine Learning Application in Bioinformatics and Biomedicine (Deadline: 15 March 2024)
- Protein-Polysaccharide Complexes: Structure and Physico-Chemical Properties (Deadline: 20 March 2024)
- Molecular Computational Research in Pharmacological and Toxicological Issues (Deadline: 31 March 2024)
Topical Collections
Following topical collections within this section are currently open for submissions:
