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Journal of Molecular Graphics & Modelling|November 20, 2018
4-HNE carbonylation induces local conformational changes on bovine serum albumin and thioredoxin. A molecular dynamics studyAntistio Alviz-Amador, Rodrigo Galindo-Murillo, Rafael Pineda-Alemán, et al.Journal of Molecular Graphics & Modelling|February 26, 2017
Topological and quantum molecular descriptors as effective tools for analyzing cytotoxic activity achieved by a series of (diselanediyldibenzene-4,1-diylnide)biscarbamate derivativesMaría Font, Daniel Plano, Carmen Sanmartín, et al.Journal of Molecular Graphics & Modelling|March 1, 2017
Identification of potent virtual leads and ADME prediction of isoxazolidine podophyllotoxin derivatives as topoisomerase II and tubulin inhibitorsMajdi M Bkhaitan, Agha Zeeshan Mirza, Hina Shamshad, et al.Journal of Molecular Graphics & Modelling|February 19, 2019
Modeling MesoBioNano systems with MBN Studio made easyGennady B Sushko, Ilia A Solov'yov, Andrey V Solov'yovJournal of Molecular Graphics & Modelling|March 29, 2019
An anticoagulant peptide from Porphyra yezoensis inhibits the activity of factor XIIa: In vitro and in silico analysisAzeemullah A Syed, Kalkooru L Venkatraman, Alka MehtaJournal of Molecular Graphics & Modelling|March 15, 2019
Pharmacophore modeling and virtual screening studies to identify novel selective SIRT2 inhibitorsGokcen Eren, Agostino Bruno, Sezen Guntekin-Ergun, et al.Journal of Molecular Graphics & Modelling|March 19, 2019
Low susceptibility of asunaprevir towards R155K and D168A point mutations in HCV NS3/4A protease: A molecular dynamics simulationJirayu Kammarabutr, Panupong Mahalapbutr, Bodee Nutho, et al.Journal of Molecular Graphics & Modelling|March 4, 2019
OxH2x+1+ clusters: A new series of non-metallic superalkali cations by trapping H3O+ into waterAmbrish Kumar SrivastavaJournal of Molecular Graphics & Modelling|March 20, 2019
Refinement of the gonadotropin releasing hormone receptor I homology model by applying molecular dynamicsHaralambos Tzoupis, Agathi Nteli, Jamie Platts, et al.Journal of Molecular Graphics & Modelling|March 1, 2019
TPP riboswitch aptamer: Role of Mg2+ ions, ligand unbinding, and allosterySiladitya Padhi, Meenakshi Pradhan, Navneet Bung, et al.Pageof 407