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Journal of Molecular Graphics & Modelling|December 10, 2021
R•-hole interactions of group IV-VII radical-containing molecules: A comparative studyMahmoud A A Ibrahim, Yasmeen A M Mohamed, Heba S M Abd Elhafez, et al.Journal of Molecular Graphics & Modelling|June 8, 2023
A computational study of CuCrXSaloni Saloni, Prabhat Ranjan, Tanmoy ChakrabortyJournal of Molecular Graphics & Modelling|May 27, 2006
Graphical exploratory data analysis of RNA secondary structure dynamics predicted by the massively parallel genetic algorithmBruce A Shapiro, Wojciech Kasprzak, Calvin Grunewald, et al.Journal of Molecular Graphics & Modelling|December 11, 2013
Investigation of base pairs containing oxidized guanine using ab initio method and ABEEMσπ polarizable force fieldCui Liu, Yang Wang, Dongxia Zhao, et al.Journal of Molecular Graphics & Modelling|October 2, 2022
In-depth analysis of the interactions of various aryl hydrocarbon receptor ligands from a computational perspectiveFarag E S Mosa, Ayman O S El-Kadi, Khaled BarakatJournal of Molecular Graphics & Modelling|July 31, 2016
Peptides design based on transmembrane Escherichia coli's OmpA protein through molecular dynamics simulations in water-dodecane interfacesSonia M Aguilera-Segura, Vanessa Núñez Vélez, Luke Achenie, et al.Journal of Molecular Graphics & Modelling|July 16, 2023
Quantum computations in heavy noble-gas hydride cations: Reference energies and new spectroscopic dataMaría Judit Montes de Oca-Estévez, Rita ProsmitiJournal of Molecular Graphics & Modelling|June 30, 2023
Drug-drug interaction prediction based on local substructure features and their complementsQing Zhou, Yang Zhang, Siyuan Wang, et al.Journal of Molecular Graphics & Modelling|August 3, 2023
Molecular modeling of [VO(L1-4)(R)] complexes (R = bipyridine, phenanthroline): DFT study of antioxidant activity, DNA binding and evaluation of electron-donating and -withdrawing substituent groupsTalis Uelisson da Silva, Everton Tomaz da Silva, Camilo Henrique da Silva Lima, et al.Journal of Molecular Graphics & Modelling|August 3, 2023
Divalent ions as mediators of carbonylation in cardiac myosin binding protein CChristina Bergonzo, Baikuntha Aryal, V Ashutosh RaoPageof 408