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Journal of Molecular Graphics & Modelling|December 30, 2018
Toward steroidal anticancer drugs: Non-parametric and 3D-QSAR modeling of 17-picolyl and 17-picolinylidene androstanes with antiproliferative activity on breast adenocarcinoma cellsStrahinja Z Kovačević, Milica Ž Karadžić, Dajana V Vukić, et al.Journal of Molecular Graphics & Modelling|December 30, 2018
QM/MM molecular modelling on mutation effect of chorismate synthase enzyme catalysisNarin Lawan, Pongsakorn Chasing, Jirapat Santatiwongchai, et al.Journal of Molecular Graphics & Modelling|March 18, 2018
Computational study of substituent effects on the acidity, toxicity and chemical reactivity of bacteriostatic sulfonamidesCatalina Soriano-Correa, Carolina Barrientos-Salcedo, Misaela Francisco-Márquez, et al.Journal of Molecular Graphics & Modelling|March 19, 2018
Quantum chemical study on gas phase pyrolysis of p-isopropenylphenolAnand Mohan Verma, Harshal D Kawale, Kushagra Agrawal, et al.Journal of Molecular Graphics & Modelling|December 17, 2018
Nucleotide conjugated (ZnO)3 cluster: Interaction and optical characteristics using TDDFTIndu Kumari, Navjot Kaur, Shuchi Gupta, et al.Journal of Molecular Graphics & Modelling|December 14, 2018
In silico identification and evaluation of potential interaction of Azadirachta indica phytochemicals with Plasmodium falciparum heat shock protein 90Michael Oluwatoyin Daniyan, Oluwatoyin Tolulope OjoJournal of Molecular Graphics & Modelling|December 16, 2018
Molecular basis of Tityus stigmurus alpha toxin and potassium channel kV1.2 interactionsMarjorie Caroline Liberato Cavalcanti Freire, Yamara Arruda Silva de Menezes, Matheus Vitor Ferreira Ferraz, et al.Journal of Molecular Graphics & Modelling|February 11, 2018
Molecular dynamics investigation of the mechanical behavior of multi-layered graphyne and its family under tensile loadingSaeed Rouhi, Hamoon PourmirzaaghaJournal of Molecular Graphics & Modelling|January 15, 2019
Detection of trace level of hazardous phosgene gas on antimonene nanotube based on first-principles methodV Nagarajan, R ChandiramouliJournal of Molecular Graphics & Modelling|November 1, 2019
A reaction pathway to compound 0 intermediates in oxy-myoglobin through interactions with hydrogen sulfide and His64Angel D Rodriguez-Mackenzie, Hector D Arbelo-Lopez, Troy Wymore, et al.Pageof 407