Computational Molecular Bioscience

Computational Molecular Bioscience

ISSN Print: 2165-3445
ISSN Online: 2165-3453
www.scirp.org/journal/cmb
E-mail: cmb@scirp.org

Aims & Scope

Computational Molecular Bioscience (CMB) is an international journal dedicated to the latest advancements in Computational Molecular Bioscience. The goal of this journal is to provide a platform for scientists and academicians all over the world to promote, share, and discuss various new issues and developments in different areas of Computational Molecular Bioscience. All manuscripts must be prepared in English and are subject to a rigorous and fair peer-review process. Generally, accepted papers will appear online within 3 weeks followed by printed hard copy.


The journal publishes original papers including but not limited to the following fields:

  • · Ab Initio and Density Functional Calculations of Biomolecules
  • · Atomistic and Coarse Grained Molecular Dynamics
  • · Combined Computational and Experimental Studies of Biomolecular Interactions
  • · Combined Quantum Mechanical and Molecular Mechanical Methods (QM/MM)
  • · Computational Chemistry of Biomolecules, Ligands and Drugs
  • · Computational Drug Design: Structure-Based; Ligand-Based; Rational; De Novo
  • · Computational Modelling of Biomolecular Structures Interactions and Processes
  • · Computational Systems Biology and Chemistry
  • · Development and Applications of Monte Carlo Methods
  • · Development and Design of New Biological and Chemical Databases and Data Mining Techniques
  • · Development, Testing and Applications to Biomolecular Systems
  • · Enzymatic Reaction Mechanisms and Inhibition
  • · High Performance Computing in Molecular and Biomolecular Sciences
  • · Ligand Binding and Free Energy Calculations
  • · Modelling of Membrane Processes and Protein-Membrane Interactions
  • · Modelling Protein Structure, Conformational Dynamics an Interactions
  • · Molecular Mechanics, Force Field Development and Evaluation
  • · Molecular Visualizations and Data Analysis
  • · Multilevel Computational Simulations
  • · Nucleic Acids Structure, Dynamics and Interactions with Ligands
  • · Protein Folding
  • · Protein Ligand Docking New Algorithm, Codes and Applications
  • · Protein-Nucleic Acids Interactions
  • · Quantitative Structure-Activity Relationships (QSAR)
  • · Semiempirical Electronic Structure Calculations
  • · Structural Bioinformatics and Homology Modelling


We are also interested in: 1) Short Reports—2-5 page papers where an author can present either preliminary data or an idea with theoretical background but has not yet completed the research needed for a complete paper; 2) Book Reviews—Comments and critiques.

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