OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Molecular Graphics & Modelling is 27. 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 2021-07-01 to 2025-07-01.)

Article	Citations
Molecular insights into the heterogeneous crystal growth of tetrahydrofuran hydrate: Kinetic and interfacial properties	62
Editorial Board	59
Editorial Board	56
Discovery of novel microsomal prostaglandin E2 synthase 1 (mPGES-1) inhibitors by a structurally inspired virtual screening study	52
Theoretical investigation of electronic, energetic, and mechanical properties of polyvinyl alcohol/cellulose composite hydrogel electrolyte	51
Effect of Al modification on the adsorption of As2O3 on the CaSiO3(001) surface: A DFT study	49
Editorial Board	46
Conformational insights into the C-terminal mutations of human rhodopsin in retinitis pigmentosa	43
Adsorption of sulfur on Au(111) surface: An extremely stable configuration	43
Boron nitride nanoslits for water desalination via forward osmosis: A molecular dynamics study	41
Computational analysis of drug resistance of taxanes bound to human β-tubulin mutant (D26E)	40
Structural anomalies in a published NMR-derived structure of IRAK-M	38
Hydroaminoalkylation of alkenes using transition metals complexes grafted on silica SBA15 as catalysts	36
Targeting OPA1 protein for therapeutic intervention in autosomal dominant optic atrophy: In silico drug discovery	32
Computational investigation of potent inhibitors against SARS-CoV-2 2′-O-methyltransferase (nsp16): Structure-based pharmacophore modeling, molecular docking, molecular dynamics simulations and bindin	32
Designing novel potent oxindole derivatives as VEGFR2 inhibitors for cancer therapy: Computational insights from molecular docking, drug-likeness, DFT, and structural dynamics studies	31
Vibrational assignments, normal coordinates analysis, force constants, and DFT/MP2 computations of 5-Chloro-2,4,6-trifluoropyrimidine	31
PIPs from Fragaria vesca: A structural analysis of native and mutated protein	31
PyProtModel: An easy to use GUI for comparative protein modeling	30
Exploring the potential of antimalarial nanocarriers as a novel therapeutic approach	29
Effect of interface layer on the enhancement of thermal conductivity of SiC-Water nanofluids: Molecular dynamics simulation	28
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	28
Designing of fluorine-substituted benzodithiophene-based small molecules with efficient photovoltaic parameters	27
In silico selectivity modeling of pyridine and pyrimidine based CYP11B1 and CYP11B2 inhibitors: A case study	27
Investigation of substituent effect on O–C bond dissociation enthalpy of methoxy group in meta- and para-substituted anisoles	27

Strained thiacyclophanes: Reducing properties and gauge of transannular interactions	27
DFT-based finite element analysis of compressive response in armchair phosphorene nanotubes	27
Multiple machine learning models combined with virtual screening and molecular docking to identify selective human ALDH1A1 inhibitors	27