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journal of molecular graphics & modelling

ISSN 1873-4243· EN

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46.9/100
Journament Score
#25
Journament Rank
38
Articles Indexed

About This Journal

Short Name j mol graph model
Abbreviated Name j mol graph model
ISSN 1873-4243
URL https://www.journals.elsevier.com/journal-of-molecular-graphics-and-modelling

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Publications Per Year

Articles (38)

2019
Tuning optoelectronic properties of triphenylamine based dyes through variation of pi-conjugated units and anchoring groups: A DFT/TD-DFT investigation.
Deogratias, Geradius;Seriani, Nicola;Pogrebnaya, Tatiana;Pogrebnoi, Alexander;
Vol. 94 , pp. 107480
543 views DOI Abstract
2019
Structural and binding insights into HIV-1 protease and P2-ligand interactions through molecular dynamics simulations, binding free energy and principal component analysis.
Karnati, Konda Reddy;Wang, Yixuan;
Vol. 92 , pp. 112-122
508 views DOI Abstract
2016
Virtual screening of eighteen million compounds against dengue virus: Combined molecular docking and molecular dynamics simulations study.
Mirza, Shaher Bano;Salmas, Ramin Ekhteiari;Fatmi, M Qaiser;Durdagi, Serdar;
Vol. 66 , pp. 99-107
474 views DOI Abstract
2019
Thermodynamic of solvation, solute - Solvent electron transfer and ionization potential of BSCAPE molecule and its UV-vis spectra in aqueous solution.
Holtomo, Olivier;Nsangou, Mama;Fifen, Jean Jules;Motapon, Ousmanou;
Vol. 92 , pp. 100-111
457 views DOI Abstract
2019
Exploring the different environments effect of piperine via combined crystallographic, QM/MM and molecular dynamics simulation study.
Saravanan, Kandasamy;Sivanandam, Magudeeswaran;Hunday, Govindasamy;Pavan, Mysore S;Kumaradhas, Poomani;
Vol. 92 , pp. 280-295
450 views DOI Abstract
2019
Binding recognition of substrates in NS2B/NS3 serine protease of Zika virus revealed by molecular dynamics simulations.
Nutho, Bodee;Rungrotmongkol, Thanyada;
Vol. 92 , pp. 227-235
450 views DOI Abstract
2019
DFT based engineering of N-heterocyclic carbenes to exacerbate its activity for SO fixation and storage.
Logdi, Ratan;Bag, Arijit;Tiwari, Ashwani K;
Vol. 93 , pp. 107437
438 views DOI Abstract
2018
Concentration dependent adsorption of aromatic organic compounds by SWCNTs: Quantum-mechanical descriptors for nano-toxicological studies of biomolecules and agrochemicals.
Lata, Suman;Vikas, ;
Vol. 85 , pp. 232-241
424 views DOI Abstract
2019
In silico probing exercises, bioactive-conformational and dynamic simulations strategies for designing and promoting selective therapeutics against Helicobacter pylori strains.
Pasala, Chiranjeevi;Katari, Sudheer Kumar;Nalamolu, Ravina Madhulitha;Bitla, Aparna R;Amineni, Umamaheswari;
Vol. 92 , pp. 167-179
419 views DOI Abstract
2019
Modelling the adsorption of natural organic matter on Ag (111) surface: Insights from dispersion corrected density functional theory calculations.
Nyangiwe, N N;Ouma, C N M;
Vol. 92 , pp. 313-319
412 views DOI Abstract
2020
Tyrosine phosphorylation as a regulator of dystrophin and beta-dystroglycan interaction: A molecular insight.
Abdullah, Muhammad;Hassan, Adeena;Rashid, Sajid;Naeem, Muhammad;
Vol. 99 , pp. 107623
243 views DOI Abstract
2020
Potential tripeptides against the tyrosine kinase domain of human epidermal growth factor receptor (HER) 2 through computational and kinase assay approaches.
Seetaha, Supaphorn;Boonyarit, Bundit;Tongsima, Sissades;Songtawee, Napat;Choowongkomon, Kiattawee;
Vol. 97 , pp. 107564
297 views DOI Abstract
2020
A theoretical study on the metal-free triazole formation through tandem [3+2] cycloaddition/retro-Diels-Alder reaction of benzyl azide and oxanorbornadienedicarboxylate.
Hamzehloueian, Mahshid;Hosseinzadeh, Rahman;Ghandiyar, Setayesh;
Vol. 97 , pp. 107552
319 views DOI Abstract
2020
Push-pull nitronates in the [3+2] cycloaddition with nitroethylene: Molecular Electron Density Theory study.
Kącka-Zych, Agnieszka;
Vol. 97 , pp. 107549
181 views DOI Abstract
2020
Characterisation of a catalytic triad and reaction selectivity in the dual mechanism of the catalyse hydride transfer in xylitol phosphate dehydrogenase.
Razali, Siti Aisyah;Shamsir, Mohd Shahir;
Vol. 97 , pp. 107548
278 views DOI Abstract
2019
Tuning optoelectronic properties of triphenylamine based dyes through variation of pi-conjugated units and anchoring groups: A DFT/TD-DFT investigation.
Deogratias, Geradius;Seriani, Nicola;Pogrebnaya, Tatiana;Pogrebnoi, Alexander;
Vol. 94 , pp. 107480
543 views DOI Abstract
2019
Alignment independent 3D-QSAR studies and molecular dynamics simulations for the identification of potent and selective S1P receptor agonists.
Alizadeh, Ali Akbar;Jafari, Behzad;Dastmalchi, Siavoush;
Vol. 94 , pp. 107459
364 views DOI Abstract
2019
Docking structurally similar analogues: Dealing with the false-positive.
Khanjiwala, Zahara;Khale, Anubha;Prabhu, Arati;
Vol. 93 , pp. 107451
320 views DOI Abstract
2019
DFT based engineering of N-heterocyclic carbenes to exacerbate its activity for SO fixation and storage.
Logdi, Ratan;Bag, Arijit;Tiwari, Ashwani K;
Vol. 93 , pp. 107437
438 views DOI Abstract
2019
4D-QSAR and MIA-QSAR study on the Bruton's tyrosine kinase (Btk) inhibitors.
Ma, Wenzhi;Wang, Yanyu;Chu, Dongchen;Yan, Hong;
Vol. 92 , pp. 357-362
261 views DOI Abstract
47
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Below Average
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Journament

Overall Quality Score

46.9/100

Tier: Below Average

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Engagement Score

55.0/100

Measures user interactions, views, citations, and community involvement with this journal's content.

Higher engagement scores indicate that the journal's content is actively being read, cited, and discussed within the academic community.

Accessibility Score

35.0/100

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Diversity Score

30.0/100

Assesses geographic and institutional diversity of authors, editorial board composition, and topic breadth.

A diverse journal publishes work from various geographic regions, institutions, and covers a broad range of topics within its field.

Innovation Score

40.0/100

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This score reflects how much the journal publishes cutting-edge research, explores new methodologies, and bridges different academic disciplines.

Community Impact Score

47.0/100

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50.0/100

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0.0/100

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0.0/100

Academic Rigor (20% weight) + Methodology Quality (12%)

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Editorial Diversity Score

0.0/100

Author Diversity + Interdisciplinary Value (8%)

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Publication Regularity Score

0.0/100

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Geographic Reach Score

0.0/100

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