The Journal of Molecular Modeling focuses on "hardcore" modeling, publishing high-quality research and reports. Founded in 1995 as a purely electronic journal, it has adapted its format to include a full-color print edition, and adjusted its aims and scope fit the fast-changing field of molecular modeling, with a particular focus on three-dimensional modeling.

Today, the journal covers all aspects of molecular modeling including life science modeling; materials modeling; new methods; and computational chemistry.

Topics include computer-aided molecular design; rational drug design, de novo ligand design, receptor modeling and docking; cheminformatics, data analysis, visualization and mining; computational medicinal chemistry; homology modeling; simulation of peptides, DNA and other biopolymers; quantitative structure-activity relationships (QSAR) and ADME-modeling; modeling of biological reaction mechanisms; and combined experimental and computational studies in which calculations play a major role.

Cover : The cover design is based on graphics designed and computed by Prof. J. Brickmann, Molcad GmbH, Darmstadt, Germany.

  • Covers all aspects of molecular modeling and its application
  • Focuses on "hardcore" modeling, publishing high-quality research and reports
  • Topics include life science modeling; materials modeling; new methods; and computational chemistry

Journal information

Editor-in-Chief
  • Timothy Clark
Publishing model
Hybrid (Transformative Journal). Learn about publishing Open Access with us

Journal metrics

1.810 (2020)
Impact factor
1.675 (2020)
Five year impact factor
41 days
Submission to first decision
132 days
Submission to acceptance
292,640 (2020)
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Electronic ISSN
0948-5023
Print ISSN
1610-2940
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