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 2021-05-01 to 2025-05-01.)

Article	Citations
Molecular insights into the heterogeneous crystal growth of tetrahydrofuran hydrate: Kinetic and interfacial properties	61
PIPs from Fragaria vesca: A structural analysis of native and mutated protein	58
Editorial Board	58
Editorial Board	54
Discovery of novel microsomal prostaglandin E2 synthase 1 (mPGES-1) inhibitors by a structurally inspired virtual screening study	53
Conformational insights into the C-terminal mutations of human rhodopsin in retinitis pigmentosa	52
Adsorption of sulfur on Au(111) surface: An extremely stable configuration	51
PyProtModel: An easy to use GUI for comparative protein modeling	46
Boron nitride nanoslits for water desalination via forward osmosis: A molecular dynamics study	45
Computational analysis of drug resistance of taxanes bound to human β-tubulin mutant (D26E)	45
Exploring the potential of antimalarial nanocarriers as a novel therapeutic approach	44
Structural anomalies in a published NMR-derived structure of IRAK-M	42
Hydroaminoalkylation of alkenes using transition metals complexes grafted on silica SBA15 as catalysts	41
Effect of interface layer on the enhancement of thermal conductivity of SiC-Water nanofluids: Molecular dynamics simulation	40
Investigation of substituent effect on O–C bond dissociation enthalpy of methoxy group in meta- and para-substituted anisoles	39
Computational investigation of potent inhibitors against SARS-CoV-2 2′-O-methyltransferase (nsp16): Structure-based pharmacophore modeling, molecular docking, molecular dynamics simulations and bindin	39
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	38
Multiple machine learning models combined with virtual screening and molecular docking to identify selective human ALDH1A1 inhibitors	36
Effect of Al modification on the adsorption of As2O3 on the CaSiO3(001) surface: A DFT study	36
DFT-based finite element analysis of compressive response in armchair phosphorene nanotubes	32
In silico selectivity modeling of pyridine and pyrimidine based CYP11B1 and CYP11B2 inhibitors: A case study	31
Theoretical investigation of electronic, energetic, and mechanical properties of polyvinyl alcohol/cellulose composite hydrogel electrolyte	31
Designing of fluorine-substituted benzodithiophene-based small molecules with efficient photovoltaic parameters	30
Strained thiacyclophanes: Reducing properties and gauge of transannular interactions	29
Atomistic simulation of temperature and defects effects on mechanical properties of selected single and bicrystalline geomaterials	28

The origins of the Journal	28
Editorial Board	28
The binding affinity of human pediatric respiratory syncytial virus Phosphoprotein's C-terminal tail to nucleocapsid can be improved by a rationally designed halogen-bonded system	28