OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Molecular Graphics & Modelling is 28. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2022-01-01 to 2026-01-01.)

Article	Citations
Editorial Board	64
Discovery of novel microsomal prostaglandin E2 synthase 1 (mPGES-1) inhibitors by a structurally inspired virtual screening study	60
Adsorption of sulfur on Au(111) surface: An extremely stable configuration	55
PyProtModel: An easy to use GUI for comparative protein modeling	52
Hydroaminoalkylation of alkenes using transition metals complexes grafted on silica SBA15 as catalysts	50
PIPs from Fragaria vesca: A structural analysis of native and mutated protein	48
Conformational insights into the C-terminal mutations of human rhodopsin in retinitis pigmentosa	39
Structural anomalies in a published NMR-derived structure of IRAK-M	38
Exploring the potential of antimalarial nanocarriers as a novel therapeutic approach	37
Effect of phosphorylation on the structural dynamics, thermal stability of human dopamine transporter: A simulation study using normal modes, molecular dynamics and Markov State Model	37
First-principles study of lead-free Na2TmAgCl6 and Na2TmCuCl6 double halide perovskites for photovoltaic and thermoelectric applications	37
Decomposition of 5-(Dinitromethylene)-4,5-dihydro-1H-1,2,4-triazole at elevated temperatures coupled with high pressures: A molecular dynamics study	36
Computational insights into Li cluster–based gas sensors	35
Effect of Al modification on the adsorption of As2O3 on the CaSiO3(001) surface: A DFT study	33
Computational analysis of drug resistance of taxanes bound to human β-tubulin mutant (D26E)	33
Vibrational assignments, normal coordinates analysis, force constants, and DFT/MP2 computations of 5-Chloro-2,4,6-trifluoropyrimidine	33
Editorial Board	33
Theoretical investigation of electronic, energetic, and mechanical properties of polyvinyl alcohol/cellulose composite hydrogel electrolyte	32
Molecular insights into the heterogeneous crystal growth of tetrahydrofuran hydrate: Kinetic and interfacial properties	31
DFT-based finite element analysis of compressive response in armchair phosphorene nanotubes	30
Designing novel potent oxindole derivatives as VEGFR2 inhibitors for cancer therapy: Computational insights from molecular docking, drug-likeness, DFT, and structural dynamics studies	29
Computational investigation of potent inhibitors against SARS-CoV-2 2′-O-methyltransferase (nsp16): Structure-based pharmacophore modeling, molecular docking, molecular dynamics simulations and bindin	29
Structural and electronic effects of M- and X-site substitution in M4Ag2BiX9 (M = Cs, Rb; X = Br, I) layered Zintl halides	29
Boron nitride nanoslits for water desalination via forward osmosis: A molecular dynamics study	29
Designing of fluorine-substituted benzodithiophene-based small molecules with efficient photovoltaic parameters	28

Targeting HDAC3 dynamics: Allosteric role of Phe200 in inhibitor binding and breast cancer therapy	28
In silico selectivity modeling of pyridine and pyrimidine based CYP11B1 and CYP11B2 inhibitors: A case study	28
CNT as a robust delivery vehicle for anti-breast cancer drugs: A combined DFT and in-silico study	28