World's Best Scientists 2026 revealed!
Journal of Molecular Graphics and Modelling
H-index 22

Journal of Molecular Graphics and Modelling

Ranking & Metrics

Discipline name Position Best Scientists Publications D-Index
Chemistry 462 83 128 17
Biology and Biochemistry 657 17 18 8

Additional Metrics

Number of Best Scientists*: 155
Documents by Best Scientists*: 197
Top 100 Ranked Scientists*: 2
SCIMAGO H-index: 86
SCIMAGO SJR: 0.482
Impact Factor: 3

Overview

Top Research Topics at Journal of Molecular Graphics & Modelling?

The journal facilitates discussions on Stereochemistry, Molecular dynamics, Docking (molecular), Computational chemistry and Molecule. The journal explores issues in Stereochemistry which can be linked to other research areas like Protein structure, Binding site and Active site. Binding site study tackled is connected to the field of Plasma protein binding.

It facilitates discussions on Molecular dynamics that incorporate concepts from other fields like Crystallography, Biophysics, Chemical physics and Hydrogen bond. In addition to Docking (molecular) research, it aims to explore topics under Pharmacophore, Homology modeling and Computational biology. Computational chemistry works presented in the journal have a specific focus on Density functional theory.

The concepts on Density functional theory presented in the journal can also apply to other research fields, including Photochemistry and Physical chemistry. It connects research in Molecule with the related topic of Adsorption. Enzyme is a focus of the Biochemistry works in it.

  • Stereochemistry (20.32%)
  • Molecular dynamics (18.35%)
  • Docking (molecular) (16.51%)

What are the most cited papers published in the journal?

  • Automatic atom type and bond type perception in molecular mechanical calculations. (3086 citations)
  • Beware of q2 (2753 citations)
  • Python: a programming language for software integration and development. (2091 citations)

Research areas of the most cited articles at Journal of Molecular Graphics & Modelling:

The published articles investigate areas of study like Stereochemistry, Docking (molecular), Quantitative structure–activity relationship, Molecular dynamics and Computational chemistry. The most cited publications hold forums on Docking (molecular) that merge themes from other disciplines such as Pharmacophore, Binding site and Active site. Issues in Computational chemistry were discussed in the most cited articles, taking into consideration concepts from other disciplines like Fullerene and Molecule, van der Waals force.

What topics the last edition of the journal is best known for?

  • Enzyme
  • Gene
  • Organic chemistry

The previous edition focused in particular on these issues:

The journal covers a variety of subjects, including Molecule, Molecular dynamics, Computational biology, Protease and Amyotrophic lateral sclerosis. The research on Molecule tackled can also make contributions to studies in the areas of Crystallography, Bond cleavage, Ring (chemistry) and Nucleophile. Topics in Molecular dynamics explored in it were investigated in conjunction with research in Ethanol, Methanol, Adsorption, Analytical chemistry and Selectivity.

The Computational biology works featured in the journal incorporate elements from Context (language use), In silico, Allosteric regulation and Small molecule. Topics in Protease were tackled in line with various other fields like Docking (molecular), Ligand (biochemistry), Protonation, Nitrile and Cysteine. The concepts on Amyotrophic lateral sclerosis presented in Journal of Molecular Graphics & Modelling can also apply to other research fields, including Principal component analysis, Turn (biochemistry), Mutant and Stability (probability).

The most cited articles from the last journal are:

  • Computer analysis of the relation between hydrogen bond stability in SOD1 mutants and the survival time of amyotrophic lateral sclerosis patients. (0 citations)
  • Proposal of selective inhibitor for bacterial zinc metalloprotease: Molecular mechanics and ab initio molecular orbital calculations. (0 citations)
  • Small molecule interactions with the SARS-CoV-2 main protease: In silico all-atom microsecond MD simulations, PELE Monte Carlo simulations, and determination of in vitro activity inhibition. (0 citations)

Papers citation over time

A key indicator for each journal is its effectiveness in reaching other researchers with the papers published at that venue.

The chart below presents the interquartile range (first quartile 25%, median 50% and third quartile 75%) of the number of citations of articles over time.

The top authors publishing in Journal of Molecular Graphics & Modelling (based on the number of publications) are:

  • Mehdi D. Esrafili (24 papers) absent at the last edition,
  • V. Nagarajan (21 papers) absent at the last edition,
  • Khurshid Ayub (19 papers) absent at the last edition,
  • Serdar Durdagi (18 papers) absent at the last edition,
  • R. Chandiramouli (18 papers) absent at the last edition.

The overall trend for top authors publishing in this journal is outlined below. The chart shows the number of publications at each edition of the journal for top authors.

Only papers with recognized affiliations are considered

The top affiliations publishing in Journal of Molecular Graphics & Modelling (based on the number of publications) are:

  • Islamic Azad University (58 papers) absent at the last edition,
  • Chinese Academy of Sciences (46 papers) absent at the last edition,
  • Northeast Normal University (40 papers) absent at the last edition,
  • Chulalongkorn University (28 papers) absent at the last edition,
  • Shandong University (25 papers) absent at the last edition.

The overall trend for top affiliations publishing in this journal is outlined below. The chart shows the number of publications at each edition of the journal for top affiliations.

Publication chance based on affiliation

The publication chance index shows the ratio of articles published by the best research institutions in the journal edition to all articles published within that journal. The best research institutions were selected based on the largest number of articles published during all editions of the journal.

The chart below presents the percentage ratio of articles from top institutions (based on their ranking of total papers).Top affiliations were grouped by their rank into the following tiers: top 1-10, top 11-20, top 21-50, and top 51+. Only articles with a recognized affiliation are considered.

During the most recent 2022 edition, 0.00% of publications had an unrecognized affiliation. Out of the publications with recognized affiliations, 0.00% were posted by at least one author from the top 10 institutions publishing in the journal. Another 50.00% included authors affiliated with research institutions from the top 11-20 affiliations. Institutions from the 21-50 range included 16.67% of all publications and 33.33% were from other institutions.

Returning Authors Index

A very common phenomenon observed among researchers publishing scientific articles is the intentional selection of journals they have already attended in the past. In particular, it is worth analyzing the case when the authors participate in the same journal from year to year.

The Returning Authors Index presented below illustrates the ratio of authors who participated in both a given as well as the previous edition of the journal in relation to all participants in a given year.

Returning Institution Index

The graph below shows the Returning Institution Index, illustrating the ratio of institutions that participated in both a given and the previous edition of the conference in relation to all affiliations present in a given year.

The experience to innovation index

Our experience to innovation index was created to show a cross-section of the experience level of authors publishing in a journal. The index includes the authors publishing at the last edition of a journal, grouped by total number of publications throughout their academic career (P) and the total number of citations of these publications ever received (C).

The group intervals were selected empirically to best show the diversity of the authors' experiences, their labels were selected as a convenience, not as judgment. The authors were divided into the following groups:

  • Novice - P < 5 or C < 25 (the number of publications less than 5 or the number of citations less than 25),
  • Competent - P < 10 or C < 100 (the number of publications less than 10 or the number of citations less than 100),
  • Experienced - P < 25 or C < 625 (the number of publications less than 25 or the number of citations less than 625),
  • Master - P < 50 or C < 2500 (the number of publications less than 50 or the number of citations less than 2500),
  • Star - P ≥ 50 and C ≥ 2500 (both the number of publications greater than 50 and the number of citations greater than 2500).

The chart below illustrates experience levels of first authors in cases of publications with multiple authors.

Career Prospects in Related Fields

The study of Molecular Graphics & Modelling and its wide-ranging applications doesn't limit your career options to becoming an academic researcher. Many professionals who started with an interest in these topics have found their way into related fields, such as medical coding. Medical coding is one profession that values a strong understanding of how complicated systems function, making it suitable for individuals with a background in Molecular Graphics & Modelling.

If you are contemplating a career shift or looking to apply your research expertise in a practical, high-demand field, you might want to consider exploring how to become a medical coder. For example, if you are based in California or planning to relocate, knowing how to navigate the specific requirements of that state would prove useful. Find out more about the prerequisites, training, certification, and job outlook for this role in our guide on how to become a medical coder in California.

Top Publications

  • Borophene as an electronic sensor for metronidazole drug: A computational study.

    Chi Xiao;Kun Ma;Guofeng Cai;Xinyu Zhang

    (2020)
    101 Citations
  • Molecular dynamics simulations of choline chloride and phenyl propionic acid deep eutectic solvents: Investigation of structural and dynamics properties.

    Parisa Jahanbakhsh Bonab;Mehdi D. Esrafili;Alireza Rastkar Ebrahimzadeh;Jaber Jahanbin Sardroodi

    (2021)
    65 Citations
  • End-capped group modification on cyclopentadithiophene based non-fullerene small molecule acceptors for efficient organic solar cells; a DFT approach

    (2022)
    57 Citations
  • Co2YZ (Y= Cr, Nb, Ta, V and Z= Al, Ga) Heusler alloys under the effect of pressure and strain.

    Sadia Tabassam;Ali H. Reshak;Ali H. Reshak;G. Murtaza;G. Murtaza;S. Muhammad

    (2021)
    52 Citations
  • Impact of end-capped modification of MO-IDT based non-fullerene small molecule acceptors to improve the photovoltaic properties of organic solar cells

    (2022)
    52 Citations
  • Exploring the impact of central core modifications among several push-pull configurations to enhance nonlinear optical response

    Aqsa Saeed;Shabbir Muhammad;Shafiq-ur Rehman;Shamsa Bibi

    (2020)
    44 Citations
  • Online tools to easily build virtual molecular models for display in augmented and virtual reality on the web

    (2022)
    39 Citations
  • Tuning the optoelectronic properties of oligothienyl silane derivatives and their photovoltaic properties.

    Rubab Sikandar;Afifa Farhat;Rasheed Ahmad Khera;Sobia Jabeen

    (2021)
    37 Citations
  • Vienna soil organic matter modeler 2 (VSOMM2)

    Yerko Escalona;Drazen Petrov;Chris Oostenbrink

    (2021)
    34 Citations
  • Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.

    Daisuke Takaya;Hideaki Niwa;Junko Mikuni;Kana Nakamura

    (2020)
    26 Citations

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Best Scientists Contributing to This Journal

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