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:
- Advances in Molecular Dynamics Simulation of Chemical and Biomedical Systems (Deadline: 29 April 2024)
- Deep Learning in Bioinformatics and Biological Data Analysis (Deadline: 30 April 2024)
- New Insights into Proteomics and Applications in Molecular Diagnostics and Systems Biology (Deadline: 30 April 2024)
- Molecular Advances in Computational Medicine and Drug Design (Deadline: 30 April 2024)
- Drug Design and Virtual Screening 3.0 (Deadline: 30 April 2024)
- Artificial Intelligence/ML in Molecular Cancer Research (Deadline: 30 April 2024)
- Machine Learning and Chemometrics in Drug Delivery: Focusing on Molecular Research (Deadline: 30 April 2024)
- Molecular Perspective of Precision Medicine Revolutionizing Kidney Disease (Deadline: 30 April 2024)
- Molecular Advance in Cheminformatics and Nanoinformatics: Pioneering Solutions for Modern Challenges (Deadline: 15 May 2024)
- Application and Latest Progress of Bioinformatics in Drug Discovery (Deadline: 20 May 2024)
- Drug Repurposing: Emerging Approaches to Drug Discovery (Deadline: 20 May 2024)
- New Insights into Proteomics in Disease (Deadline: 24 May 2024)
- New Avenues in Molecular Docking for Drug Design 2023 (Deadline: 25 May 2024)
- Molecular Docking, Interaction and Mechanism of Action of Bioactive Peptides (Deadline: 30 May 2024)
- RNA-Seq in Human Health and Disease (Deadline: 30 May 2024)
- Molecular Computational Modelling in the Context of Safe and Sustainability-by-Design Strategy (Deadline: 30 May 2024)
- Mass Spectrometry in Molecular Biology (Deadline: 30 May 2024)
- Computer-Aided Drug Design Strategies (Deadline: 31 May 2024)
- Editorial Board Members’ Collection Series: QSAR and Computational Approaches to Drug Discovery (Deadline: 31 May 2024)
- The Role of Omics and Artificial Intelligence for the Personalized Management of Inflammatory and Neoplastic Digestive Diseases (Deadline: 31 May 2024)
- New Insights in Translational Bioinformatics (Deadline: 14 June 2024)
- Latest Advances in Proteomics in De- and Recellularized Tissue (Deadline: 15 June 2024)
- Advanced Research in Biomolecular Design for Medical Applications (Deadline: 20 June 2024)
- Cheminformatics in Drug Discovery and Material Design (Deadline: 20 June 2024)
- Advanced Research in Molecular Modeling of Protein Structure and Functions (Deadline: 20 June 2024)
- Advances in Elucidating Disease Mechanisms and Designing Therapeutics Using Computer-Aided Simulations and Modeling (Deadline: 25 June 2024)
- Virus Entry Inhibitors (Deadline: 30 June 2024)
- Molecular Advances and Emerging Trends of Radiomics in Oncology (Deadline: 30 June 2024)
- Role of Molecular Dynamics Simulations and Related Methods in Drug Discovery (Deadline: 30 June 2024)
- Machine Learning and Bioinformatics in Human Health and Disease (Deadline: 30 June 2024)
- Advanced In Silico Methods and Digital Platforms for Rational Drug Design and Predictive Toxicology (Deadline: 10 July 2024)
- Research on Advanced Bioanalytical Approaches for Biomolecules Detection (Deadline: 25 July 2024)
- Molecular Bioinformatics in Pediatric Diseases (Deadline: 29 July 2024)
- Molecular Advances of Mass Spectrometry in Rapid Cancer Detection and Treatment (Deadline: 30 July 2024)
- Integration of Meta-Multi-Omics Data: Unraveling Impact and Therapeutic Potential (Deadline: 30 July 2024)
- Advances in the Molecular Biology of Proteins in Drug Research (Deadline: 30 July 2024)
- Bioinformatics Study in Human Diseases: Integration of Omics Data for Personalized Medicine (Second Edition) (Deadline: 30 July 2024)
- Molecular Advances in Protein-Ligand Interactions (Deadline: 30 July 2024)
- Chemoinformatics and Bioinformatics Tools in Structure-Activity Modelling in Molecular Sciences 2.0 (Deadline: 31 July 2024)
- Latest Review Papers in Molecular Informatics 2024 (Deadline: 31 July 2024)
- Structural and Functional Analysis of Amino Acids and Proteins (Deadline: 31 July 2024)
- Molecular Dynamics Simulation and Computer-Aided Screening of Natural Compounds (Deadline: 31 July 2024)
- Emerging Progression of Proteomics (Deadline: 31 July 2024)
- Computational Studies in Drug Design and Discovery (Deadline: 31 July 2024)
- Advanced Research in Prediction of Protein Structure and Function: 2nd Edition (Deadline: 20 August 2024)
- Antifungal Drug Design, Synthesis and Molecular Mechanisms (Deadline: 25 August 2024)
- Molecular Simulation of Protein Structure and Interactions (Deadline: 30 August 2024)
- Machine Learning and Bioinformatics Applications for Biomarkers (Deadline: 31 August 2024)
- Mass Spectrometric Proteomics 3.0 (Deadline: 31 August 2024)
- Density Functional Theory for Rational Drug Design and the Prediction of Natural Compounds’ Bioactivity (Deadline: 31 August 2024)
- Small Molecules: From Design, Synthesis and Characterization to Pharmacological Functional Analysis (Deadline: 31 August 2024)
- Molecular Computational Research in Pharmacological and Toxicological Issues (Deadline: 20 September 2024)
- Next-Generation Sequencing and Whole-Genome Sequencing in Molecular Research (Deadline: 20 September 2024)
- Computational Modelling and Molecular Dynamics Simulations of Biological Systems (Deadline: 20 September 2024)
- Omics Era: From Principles to Applications in Disease Diagnosis and Treatment (Deadline: 30 September 2024)
- Machine Learning Applications in Bioinformatics and Biomedicine 2.0 (Deadline: 30 September 2024)
- From Biomolecules to Therapies: Bridging the Gap with Molecular Mechanisms, Computational Design, and Drug Delivery (Deadline: 30 September 2024)
- Exploring Pathogens: Advances in Genomic and Proteomic Research (Deadline: 30 September 2024)
- Bioinformatics in Neuro-Oncology: Latest Applications and Future Perspectives (Deadline: 30 September 2024)
- Latest Advances in Comparative Genomics (Deadline: 30 September 2024)
- Protein-Polysaccharide Complexes: Structure and Physico-Chemical Properties (Deadline: 30 September 2024)
- Computational Approaches for the Investigation of Complex Molecular Mechanisms 3.0 (Deadline: 10 October 2024)
- Molecular Advances in Computational Chemistry for Drug Design (Deadline: 10 October 2024)
- Advances in AI and Machine Learning for the Analysis of -Omics and Complex Molecular Data (Deadline: 20 October 2024)
Topical Collections
Following topical collections within this section are currently open for submissions:
