OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Molecular Graphics & Modelling is 26. 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 2021-08-01 to 2025-08-01.)

Article	Citations
Molecular insights into the heterogeneous crystal growth of tetrahydrofuran hydrate: Kinetic and interfacial properties	63
Editorial Board	62
Discovery of novel microsomal prostaglandin E2 synthase 1 (mPGES-1) inhibitors by a structurally inspired virtual screening study	52
Editorial Board	51
Conformational insights into the C-terminal mutations of human rhodopsin in retinitis pigmentosa	51
Adsorption of sulfur on Au(111) surface: An extremely stable configuration	46
Computational analysis of drug resistance of taxanes bound to human β-tubulin mutant (D26E)	44
Structural anomalies in a published NMR-derived structure of IRAK-M	43
Hydroaminoalkylation of alkenes using transition metals complexes grafted on silica SBA15 as catalysts	42
Exploring the potential of antimalarial nanocarriers as a novel therapeutic approach	41
Computational investigation of potent inhibitors against SARS-CoV-2 2′-O-methyltransferase (nsp16): Structure-based pharmacophore modeling, molecular docking, molecular dynamics simulations and bindin	36
Targeting OPA1 protein for therapeutic intervention in autosomal dominant optic atrophy: In silico drug discovery	33
PIPs from Fragaria vesca: A structural analysis of native and mutated protein	32
Designing novel potent oxindole derivatives as VEGFR2 inhibitors for cancer therapy: Computational insights from molecular docking, drug-likeness, DFT, and structural dynamics studies	32
Vibrational assignments, normal coordinates analysis, force constants, and DFT/MP2 computations of 5-Chloro-2,4,6-trifluoropyrimidine	32
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	31
DFT-based finite element analysis of compressive response in armchair phosphorene nanotubes	31
Investigation of substituent effect on O–C bond dissociation enthalpy of methoxy group in meta- and para-substituted anisoles	30
Effect of interface layer on the enhancement of thermal conductivity of SiC-Water nanofluids: Molecular dynamics simulation	30
Designing of fluorine-substituted benzodithiophene-based small molecules with efficient photovoltaic parameters	29
Multiple machine learning models combined with virtual screening and molecular docking to identify selective human ALDH1A1 inhibitors	29
Effect of Al modification on the adsorption of As2O3 on the CaSiO3(001) surface: A DFT study	29
Boron nitride nanoslits for water desalination via forward osmosis: A molecular dynamics study	28
PyProtModel: An easy to use GUI for comparative protein modeling	28
Theoretical investigation of electronic, energetic, and mechanical properties of polyvinyl alcohol/cellulose composite hydrogel electrolyte	28

In silico selectivity modeling of pyridine and pyrimidine based CYP11B1 and CYP11B2 inhibitors: A case study	27
Virtual and biochemical screening to identify the inhibitors of binding between SARS-CoV-2 spike protein and human angiotensin-converting enzyme 2	26
The origins of the Journal	26
Topological structures of DNA octahedrons determined by the number of ssDNA strands	26
Strained thiacyclophanes: Reducing properties and gauge of transannular interactions	26
Editorial Board	26