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Journal of Molecular Graphics & Modelling|August 6, 2013
Structure based design towards the identification of novel binding sites and inhibitors for the chikungunya virus envelope proteinsAdel A Rashad, Paul A KellerJournal of Molecular Graphics & Modelling|September 17, 2013
Reaching new levels of realism in modeling biological macromolecules in cellular environmentsMichael Feig, Yuji SugitaJournal of Molecular Graphics & Modelling|November 24, 2015
Homology modeling of parasite histone deacetylases to guide the structure-based design of selective inhibitorsJelena Melesina, Dina Robaa, Raymond J Pierce, et al.Journal of Molecular Graphics & Modelling|January 2, 2016
LOX1 inhibition with small moleculesChrysoula Gousiadou, Irene KouskoumvekakiJournal of Molecular Graphics & Modelling|November 30, 2015
Docking, molecular dynamics and QM/MM studies to delineate the mode of binding of CucurbitacinE to F-actinR Pravin Kumar, L Roopa, Upendra Nongthomba, et al.Journal of Molecular Graphics & Modelling|September 10, 2015
On novel magnetic probe for fullerene characterization: Theoretical studies on NMR parameters of free and confined in fullerenes HD and H2 moleculesMarzena Jankowska, Teobald Kupka, Leszek StobińskiJournal of Molecular Graphics & Modelling|September 7, 2015
Sterols and triterpenoids as potential anti-inflammatories: Molecular docking studies for binding to some enzymes involved in inflammatory pathwaysMarco A Loza-Mejía, Juan Rodrigo SalazarJournal of Molecular Graphics & Modelling|October 21, 2015
Evaluation of novel Akt1 inhibitors as anticancer agents using virtual co-crystallized pharmacophore generationMahmoud A Al-Sha'er, Iman Mansi, Inas Almazari, et al.Journal of Molecular Graphics & Modelling|October 27, 2015
A structural insight into the inhibitory mechanism of an orally active PI3K/mTOR dual inhibitor, PKI-179 using computational approachesMohd RehanJournal of Molecular Graphics & Modelling|January 27, 2016
Crystal morphology prediction of 1,3,3-trinitroazetidine in ethanol solvent by molecular dynamics simulationWenyan Shi, Yuting Chu, Mingzhu Xia, et al.Pageof 402