Journal of Molecular Graphics and Modelling

Aims & Scope

The Journal of Molecular Graphics and Modelling is devoted to the publication of papers on the uses of computers in theoretical investigations of molecular structure, function, interaction, and design.

The scope of the journal includes all aspects of molecular modeling and computational chemistry, including, for instance, the study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, structure-activity and structure-property relationships, database mining, and compound library design.

View Aims & Scope

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Metrics & Ranking

Impact Factor

Year	Value
2025	3
2024	2.70

Journal Rank

Year	Value
2024	11940

Journal Citation Indicator

Year	Value
2024	2081

SJR (SCImago Journal Rank)

Year	Value
2024	0.482

Quartile

Year	Value
2024	Q2

h-index

Year	Value
2024	86

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Abstracting & Indexing

Journal is indexed in leading academic databases, ensuring global visibility and accessibility of our peer-reviewed research.

• Scopus
• Google Scholar
• Web of Science

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Subjects & Keywords

Journal’s research areas, covering key disciplines and specialized sub-topics in Chemistry, Computer Science and Materials Science, designed to support cutting-edge academic discovery.

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Most Cited Articles

The Most Cited Articles section features the journal's most impactful research, based on citation counts. These articles have been referenced frequently by other researchers, indicating their significant contribution to their respective fields.

• Automatic atom type and bond type perception in molecular mechanical calculations

  Citation: 4765

  Authors: Junmei, Wei, Peter A., David A.

• Beware of q2!

  Citation: 3292

  Authors: Alexander, Alexander

• Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

  Citation: 2212

  Authors: Tian, Feiwu

• Intrinsically disordered protein

  Citation: 2036

  Authors: A.Keith, J.David, Celeste J, Ryan M, Pedro, Jeong S, Christopher J, Andrew M, Catherine M, Kerry W, Juan, Mark S, Raymond, ChulHee, Charles R, Robert W, Michael D, Wah, Ethan C, Zoran

• XCrySDen—a new program for displaying crystalline structures and electron densities

  Citation: 1559

  Authors: Anton

• An extensively modified version of MolScript that includes greatly enhanced coloring capabilities

  Citation: 1295

  Authors: Robert M.

• Macmolplt: a graphical user interface for GAMESS

  Citation: 1026

  Authors: Brett M., Mark S.

• LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites

  Citation: 811

  Authors: C.M., X., T., M.

• MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology

  Citation: 802

  Authors: Michael, John, Charles L.

• LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins

  Citation: 598

  Authors: Manfred, Friedrich, Gerhard

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