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Journal of Molecular Modeling
H-index 22

Journal of Molecular Modeling

1610-2940

Published by: Springer

http://www.springer.com/chemistry/journal/894

Ranking & Metrics

Discipline name Position Best Scientists Publications D-Index
Chemistry 368 134 201 21

Additional Metrics

Number of Best Scientists*: 220
Documents by Best Scientists*: 301
Top 100 Ranked Scientists*: 2
SCIMAGO H-index: 84
SCIMAGO SJR: 0.376
Impact Factor: 2.5

Overview

Top Research Topics at Journal of Molecular Modeling?

Journal of Molecular Modeling focuses on Computational chemistry, Density functional theory, Molecule, Crystallography and Molecular dynamics. The journal explores issues in Computational chemistry which can be linked to other research areas like Ab initio, Molecular orbital and Hydrogen bond. The study on Hydrogen bond presented in Journal of Molecular Modeling intersects with the topics under Intermolecular force.

The journal facilitates discussions on Density functional theory that incorporate concepts from other fields like Inorganic chemistry, Adsorption, Physical chemistry, Photochemistry and Binding energy. Discussions in the journal are anchored in the subject of Molecule and the similar topic of Chemical physics. The main emphasis of it is the subject of Crystallography, focusing on Atom.

In Journal of Molecular Modeling, Biophysics, Stereochemistry and Thermodynamics are investigated in conjunction with one another to address concerns in Molecular dynamics research. The research on Stereochemistry featured in it combines topics in other fields like Binding site and Active site. Research in Docking (molecular) and the interrelating topic of Homology modeling were among the subjects of interest in the Binding site studies discussed in Journal of Molecular Modeling.

  • Computational chemistry (26.57%)
  • Density functional theory (22.27%)
  • Molecule (21.41%)

What are the most cited papers published in the journal?

  • GROMACS 3.0: a package for molecular simulation and trajectory analysis (5651 citations)
  • Optimization of parameters for semiempirical methods V: modification of NDDO approximations and application to 70 elements. (2531 citations)
  • Halogen bonding: the σ-hole (1607 citations)

Research areas of the most cited articles at Journal of Molecular Modeling:

The published articles mostly deal with topics like Computational chemistry, Density functional theory, Molecule, Stereochemistry and Crystallography. The most cited publications explore topics in Computational chemistry which can be helpful for research in disciplines like Chemical physics, Physical chemistry, Ab initio, Hydrogen bond and Molecular orbital. The most cited publications explore research in Atomic physics and overlapping concepts in Molecular physics to expand the discourse in Density functional theory.

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

  • Enzyme
  • Organic chemistry
  • Gene

The previous edition focused in particular on these issues:

The primary areas of discussion in Journal of Molecular Modeling are Density functional theory, Molecule, Adsorption, Crystallography and Computational chemistry. Issues in Density functional theory were discussed, taking into consideration concepts from other disciplines like Chemical physics, Atom, Reactivity (chemistry), HOMO/LUMO and Band gap. Topics in Chemical physics were tackled in line with various other fields like Doping and Molecular dynamics.

The journal addresses concerns in Molecule which are intertwined with other disciplines, such as Molecular physics, Acceptor and Physical chemistry. The studies in Adsorption featured incorporate elements of Chemical engineering and Graphene. While Crystallography is the key highlight in Journal of Molecular Modeling, it also covered some subjects on Hydrogen bond and Intramolecular force.

The most cited articles from the last journal are:

  • Effective adsorption of A-series chemical warfare agents on graphdiyne nanoflake: a DFT study (9 citations)
  • Generative chemistry: drug discovery with deep learning generative models. (9 citations)
  • Characterization of titanium influences on structure and thermodynamic stability of novel C20-nTin nanofullerenes (n=1-5): a density functional perspective. (7 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 Modeling (based on the number of publications) are:

  • Timothy Clark (54 papers) absent at the last edition,
  • Fu-de Ren (38 papers) published 2 papers at the last edition, 2 less than at the previous edition,
  • Jane S. Murray (38 papers) published 1 paper at the last edition the same number as at the previous edition,
  • Peter Politzer (37 papers) published 1 paper at the last edition the same number as at the previous edition,
  • Xuedong Gong (26 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 Modeling (based on the number of publications) are:

  • University of Erlangen-Nuremberg (109 papers) absent at the last edition,
  • Islamic Azad University (106 papers) published 23 papers at the last edition, 15 more than at the previous edition,
  • Chinese Academy of Sciences (87 papers) published 3 papers at the last edition, 3 less than at the previous edition,
  • Nanjing University of Science and Technology (84 papers) published 2 papers at the last edition, 9 less than at the previous edition,
  • National Autonomous University of Mexico (81 papers) published 4 papers at the last edition the same number as at the previous 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 2021 edition, 11.18% of publications had an unrecognized affiliation. Out of the publications with recognized affiliations, 16.67% were posted by at least one author from the top 10 institutions publishing in the journal. Another 5.78% included authors affiliated with research institutions from the top 11-20 affiliations. Institutions from the 21-50 range included 7.14% of all publications and 70.41% 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.

Top Publications

  • Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses

    Feride Akman;Noureddine Issaoui;Aleksandr S. Kazachenko

    (2020)
    144 Citations
  • Designing indenothiophene-based acceptor materials with efficient photovoltaic parameters for fullerene-free organic solar cells

    Zainab Afzal;Riaz Hussain;Muhammad Usman Khan;Muhammad Usman Khan;Muhammad Khalid

    (2020)
    100 Citations
  • Tuning the optoelectronic properties of triphenylamine (TPA) based small molecules by modifying central core for photovoltaic applications

    Saba Zahid;Alvina Rasool;Rao Aqil Shehzad;Ijaz Ahmad Bhatti

    (2021)
    87 Citations
  • Theoretical and experimental study of guar gum sulfation.

    Aleksandr S Kazachenko;Feride Akman;Abir Sagaama;Noureddine Issaoui

    (2021)
    67 Citations
  • Non-covalent interactions from a Quantum Chemical Topology perspective

    (2022)
    62 Citations
  • On the origin of the shift between vertical excitation and band maximum in molecular photoabsorption

    Shuming Bai;Ritam Mansour;Ljiljana Stojanović;Ljiljana Stojanović;Josene M. Toldo

    (2020)
    56 Citations
  • Adsorption of adipic acid in Al/B-N/P nanocages: DFT investigations

    Jamelah S. Al-Otaibi;Y. Sheena Mary;Y. Shyma Mary;Goncagül Serdaroglu

    (2021)
    44 Citations
  • Solar photodegradation of Rhodamine B dye by Cu_2O/TiO_2 heterostructure: experimental and computational studies of degradation and toxicity

    (2023)
    40 Citations
  • Efficient designing of half-moon-shaped chalcogen heterocycles as non-fullerene acceptors for organic solar cells

    (2022)
    37 Citations
  • Exploring the optoelectronic and third-order nonlinear optical susceptibility of cross-shaped molecules: insights from molecule to material level

    Rao Aqil Shehzad;Shabbir Muhammad;Javed Iqbal;Abdullah G Al-Sehemi

    (2021)
    37 Citations

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Best Scientists Contributing to This Journal