Protein Modeling and Simulation: Selected articles from the Computational Structural Bioinformatics Workshop 2021
A special issue of Biomolecules (ISSN 2218-273X). This special issue belongs to the section "Bioinformatics and Systems Biology".
Deadline for manuscript submissions: closed (31 May 2022) | Viewed by 23055
Special Issue Editors
Interests: structural bioinformatics; protein structure modeling; cryo-electron microscopy; high performance computing; big data analytics
Special Issue Information
Dear Colleagues,
The three-dimensional structure and function of molecules present many challenges and opportunities for developing an understanding of biological systems. With the increasing availability of molecular structures and the advancing accuracy of structure predictions and molecular simulations, the space for algorithmic advancement in many analytical and predictive problems is both broad and deep. CSBW provided a forum for discussing cutting-edge computational results in computational–structural bioinformatics.
The list of topics from the workshop, from which keywords can be extracted, is as follows:
Structure representation, prediction, and alignment;
Interaction and docking;
Molecular simulations;
Coarse-grained modeling;
Biomolecular graphics;
Data mining;
Structural genomics and optimization for structural problems;
High-performance computing in modeling;
Graph theory applied to structural problems;
Structure-based drug design and QSAR.
Dr. Kamal Al Nasr
Dr. Negin Forouzesh
Guest Editors
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Keywords
- protein structure prediction
- molecular simulation
- computational biology
- machine learning for protein modeling
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