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Journal of Molecular Graphics & Modelling|January 1, 2014
Multivariate SAR and QSAR of cucurbitacin derivatives as cytotoxic compounds in a human lung adenocarcinoma cell lineKaren L Lang, Izabella T Silva, Vanessa R Machado, et al.Journal of Molecular Graphics & Modelling|May 23, 2012
QM/MM study of catalytic mechanism of Xylanase Cex from Cellulomonas fimiJingli Liu, Chunchun Zhang, Dingguo XuJournal of Molecular Graphics & Modelling|May 22, 2012
Extensive ligand-based modeling and in silico screening reveal nanomolar inducible nitric oxide synthase (iNOS) inhibitorsGhadeer A R Y Suaifan, Mayyada Shehadehh, Hebah Al-Ijel, et al.Journal of Molecular Graphics & Modelling|March 19, 2016
Application of DPD in the design of polymeric nano-micelles as drug carriersMohammad Ramezani, Jamal ShamsaraJournal of Molecular Graphics & Modelling|May 17, 2016
Influence of density and environmental factors on decomposition kinetics of amorphous polylactide - Reactive molecular dynamics studiesA Mlyniec, M Ekiert, A Morawska-Chochol, et al.Journal of Molecular Graphics & Modelling|May 18, 2016
pH effects on adsorption behavior and self-aggregation of dodecylamine at muscovite/aqueous interfacesLi Wang, Runqing Liu, Yuehua Hu, et al.Journal of Molecular Graphics & Modelling|April 8, 2016
Virtual screening of eighteen million compounds against dengue virus: Combined molecular docking and molecular dynamics simulations studyShaher Bano Mirza, Ramin Ekhteiari Salmas, M Qaiser Fatmi, et al.Journal of Molecular Graphics & Modelling|July 25, 2017
Mechanistic and kinetic study on the reaction of methylperoxy radical with atomic iodineYunju Zhang, Ruojing Song, Yuxi Sun, et al.Journal of Molecular Graphics & Modelling|August 13, 2017
Comparison and analysis of the structures and binding modes of antifungal SE and CYP51 inhibitorsBin Sun, Wanxu Huang, Min Liu, et al.Journal of Molecular Graphics & Modelling|August 7, 2017
Computational analysis of Asp519 and Glu665 mutations of coagulation factor FVIIIa: Implications for enhanced binding affinity of A2-domainShenna Shearin, Divi VenkateswarluPageof 401