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Journal of Molecular Graphics & Modelling|February 27, 2023
In silico prediction of Antifungal compounds from Natural sources towards Lanosterol 14-alpha demethylase (CYP51) using Molecular docking and Molecular dynamic simulationImran Sama-Ae, Nawanwat C Pattaranggoon, Aman TedasenJournal of Molecular Graphics & Modelling|March 25, 2023
Interaction studies of propylene and butadiene on tricycle graphane nanosheet - A DFT outlookV Nagarajan, R Bhuvaneswari, R ChandiramouliJournal of Molecular Graphics & Modelling|March 25, 2023
Designing and theoretical study of benzocarbazole-based D-π-D type small molecules donor for organic solar cellsHanane Etabti, Asmae Fitri, Adil Touimi Benjelloun, et al.Journal of Molecular Graphics & Modelling|February 22, 2023
Structure-based pharmacophore modeling 1. Automated random pharmacophore model generationGregory L Szwabowski, Judith A Cole, Daniel L Baker, et al.Journal of Molecular Graphics & Modelling|February 1, 2023
The regulation of the withstand voltage performance of ZnO/GaN vertical heterostructures using external electric field and vacancy defectsMingya Yang, Jijun Ding, Xiangyu Wang, et al.Journal of Molecular Graphics & Modelling|November 19, 2022
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 systemYaqi Xue, Xiangxiang Shi, Dengmei Feng, et al.Journal of Molecular Graphics & Modelling|November 19, 2022
Exploring the potential use of Fe-decorated B40 borospherene as a prospective catalyst for oxidation of methane to methanolHosein Hamadi, Ehsan Shakerzadeh, Mehdi D EsrafiliJournal of Molecular Graphics & Modelling|February 22, 2023
Assessing protein homology models with docking reproducibilityAlexander P Plonski, Scott M ReedJournal of Molecular Graphics & Modelling|December 12, 2025
DFT study of structural and electronic properties of [Fe(CO)4(PbX)] complexes (X = O, S, Se and Te): Influence of terminal lead chalcogenide ligands on bonding and stabilitySelvaraj Immanuel, S Manivarman, Akhil K Sivan, et al.Journal of Molecular Graphics & Modelling|November 13, 2012
The Wolf method applied to the type I methane and carbon dioxide gas hydratesAlireza Sadeghifar, Mitra Dadvar, Safoora Karimi, et al.Pageof 407