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:
- Artificial Intelligence in Biomarker Discovery (Deadline: 8 July 2022)
- An Application of Modern Machine Learning-Based Approaches for the De Novo Drug Design (Deadline: 31 July 2022)
- Bioinformatics of Gene Regulations and Structure - 2022 (Deadline: 31 July 2022)
- Complexity and Networking in Molecular Systems (Deadline: 31 July 2022)
- Exploring the Possibility of RNA in Diverse Biological Processes (Deadline: 31 July 2022)
- New Avenues in Molecular Docking for Drug Design 2022 (Deadline: 31 July 2022)
- Stochastics in Epigenetics (Deadline: 31 August 2022)
- Comparative Genomics and Functional Genomics Analysis in Plants (Deadline: 31 August 2022)
- Developmental Biology: Computational and Experimental Approaches (Deadline: 31 August 2022)
- Amyloid: Structure and Function (Deadline: 20 September 2022)
- Computer-Aided Drug Discovery and Treatment 2022 (Deadline: 30 September 2022)
- Medical Genetics, Genomics and Bioinformatics—2022 (Deadline: 30 September 2022)
- Machine Learning in Small-Molecule Drug Discovery 2.0 (Deadline: 30 September 2022)
- Molecular Modeling Analysis and Conformational Research of Natural Products and Synthesized Compounds (Deadline: 30 September 2022)
- QSAR and Chemoinformatics in Molecular Modeling and Drug Design 4.0 (Deadline: 30 September 2022)
- Proteins in Drug Research (Deadline: 30 September 2022)
- DNA Dynamics (Deadline: 30 September 2022)
- Data Mining and Bioinformatic Tools for Health (Deadline: 24 October 2022)
- The Impact of External Factors on the Epigenome (Deadline: 30 October 2022)
- Chemoinformatics and Bioinformatics Tools in Structure-Activity Modelling in Molecular Sciences 2.0 (Deadline: 31 October 2022)
- The Application of Bioinformatics Methods in Cancer Biology (Deadline: 31 October 2022)
- Computational Studies of Drugs and Biomolecules (Deadline: 31 October 2022)
- Molecular Research on RNA Structure (Deadline: 31 October 2022)
- Multi-Omics and Computational Biology in Horticultural Plants: From Genotype to Phenotype (Deadline: 30 November 2022)
- Towards Precision Medicine with Advanced Medical Informatics (Deadline: 30 November 2022)
- State of the Art in Catalysis: From Computational Chemistry to Sustainability (Deadline: 30 November 2022)
- Bioinformatics of RNA: Recent Advance and Open Challenge (Deadline: 30 November 2022)
- Advances in Biomarker and Therapeutic Target Discovery in the Era of Omics Sciences (Deadline: 30 November 2022)
- Drug Design and Virtual Screening 2.0 (Deadline: 30 November 2022)
- Computational Medicine and Bioinformatics Research (Deadline: 15 December 2022)
- Transcription Factors as Bioengineer for Tunable Gene Expression: Recent Advances and Prospects (Deadline: 15 December 2022)
- Immunoanalytical and Bioinformatics Methods in Immunology Research (Deadline: 31 December 2022)
- Mass Spectrometric Proteomics 2.0 (Deadline: 31 December 2022)
- Advance in Computational Protein Structural Biology (Deadline: 31 December 2022)
- Advances in Computational Intelligence for Protein Design (Deadline: 31 December 2022)
- Current Topics in Computational Genomics (Deadline: 31 December 2022)
- Molecular and Informatics Approaches for Nanoscale and Advanced Materials (Deadline: 20 January 2023)
- Trends and Applications in Computationally Driven Drug Repurposing (Deadline: 31 January 2023)
- Computation and Membranes, Across Bioinformatics and Computational Biology (Deadline: 31 January 2023)
- Structural Biology of Membrane Proteins (Deadline: 1 February 2023)
Topical Collections
Following topical collections within this section are currently open for submissions: