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Journal of Molecular Graphics & Modelling|January 13, 2018
FilTer BaSe: A web accessible chemical database for small compound librariesBaban S Kolte, Sanjay R Londhe, Bhushan R Solanki, et al.Journal of Molecular Graphics & Modelling|January 15, 2018
Structural and quantum mechanical computations to elucidate the altered binding mechanism of metal and drug with pyrazinamidase from Mycobacterium tuberculosis due to mutagenicityNouman Rasool, Saima Iftikhar, Anam Amir, et al.Journal of Molecular Graphics & Modelling|December 12, 2018
Molecular modelling and competitive inhibition of a Mycobacterium tuberculosis multidrug-resistance efflux pumpJoāo Luís Rheingantz Scaini, Alex Dias Camargo, Vinicius Rosa Seus, et al.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.Pageof 407