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Journal of Molecular Graphics & Modelling|January 21, 2014
Small molecule interaction with lipid bilayers: a molecular dynamics study of chlorhexidineBrad Van Oosten, Drew Marquardt, Ivana Komljenović, et al.Journal of Molecular Graphics & Modelling|June 1, 2014
New in silico insights into the inhibition of RNAP II by α-amanitin and the protective effect mediated by effective antidotesJuliana Garcia, Alexandra T P Carvalho, Daniel F A R Dourado, et al.Journal of Molecular Graphics & Modelling|April 13, 2015
Second-order nonlinear optical properties of dithienophenazine and TTF derivatives: A butterfly effect of dimalononitrile substitutionsShabbir MuhammadJournal of Molecular Graphics & Modelling|March 26, 2015
Molecular dynamics of the asymmetric dimers of EGFR: simulations on the active and inactive conformations of the kinase domainNapat Songtawee, David R Bevan, Kiattawee ChoowongkomonJournal of Molecular Graphics & Modelling|April 22, 2023
The role of ETFS amino acids on the stability and inhibition of p53-MDM2 complex of anticancer p53-derivatives peptides: Density functional theory and molecular docking studiesCatalina Soriano-Correa, Micheel Merari Vichi-Ramírez, Edtson E Herrera-Valencia, et al.Journal of Molecular Graphics & Modelling|April 23, 2023
Repurposing of FDA-approved drugs as dual-acting MAO-B and AChE inhibitors against Alzheimer's disease: An in silico and in vitro studyEmilio Mateev, Magdalena Kondeva-Burdina, Maya Georgieva, et al.Journal of Molecular Graphics & Modelling|April 16, 2023
Investigation of substituent effect on O-C bond dissociation enthalpy of methoxy group in meta- and para-substituted anisolesMonika Biela, Andrea Kleinová, Matej Uhliar, et al.Journal of Molecular Graphics & Modelling|April 28, 2023
Intermediate-aided allostery mechanism for α-glucosidase by Xanthene-11v as an inhibitor using residue interaction network analysisZahra Moosavi-Movahedi, Najmeh Salehi, Mehran Habibi-Rezaei, et al.Journal of Molecular Graphics & Modelling|November 3, 2012
Electronic structures and optical properties of organic dye sensitizer NKX derivatives for solar cells: a theoretical approachCai-Rong Zhang, Li Liu, Zi-Jiang Liu, et al.Journal of Molecular Graphics & Modelling|May 27, 2014
A single amino acid change humanizes long-chain fatty acid binding and activation of mouse peroxisome proliferator-activated receptor αDhawal P Oswal, Gerald M Alter, S Dean Rider, et al.Pageof 408