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Journal of Molecular Graphics & Modelling|September 1, 2017
Exploring putative inhibitors of Death Associated Protein Kinase 1 (DAPK1) via targeting Gly-Glu-Leu (GEL) and Pro-Glu-Asn (PEN) substrate recognition motifsPratibha Singh, Priti TalwarJournal of Molecular Graphics & Modelling|September 3, 2017
In silico identification of inhibitors of ribose 5-phosphate isomerase from Trypanosoma cruzi using ligand and structure based approachesVanessa de V C Sinatti, Luiz Phillippe R Baptista, Marcelo Alves-Ferreira, et al.Journal of Molecular Graphics & Modelling|July 14, 2017
Structural dynamics of wild type and mutated forms of human L1 endonuclease and insights into its sequence specific nucleic acid binding mechanism: A molecular dynamics studyMuthukumaran Rajagopalan, Sangeetha Balasubramanian, Amutha RamaswamyJournal of Molecular Graphics & Modelling|December 23, 2017
The effect of different π-bridge configuration on bi-anchored triphenylamine and phenyl modified triphenylamine based dyes for dye sensitized solar cell (DSSC) application: A theoretical approachP Pounraj, V Mohankumar, M Senthil Pandian, et al.Journal of Molecular Graphics & Modelling|March 5, 2018
Faster protein folding using enhanced conformational sampling of molecular dynamics simulationHiqmet KamberajJournal of Molecular Graphics & Modelling|January 8, 2018
Assessing GPCR homology models constructed from templates of various transmembrane sequence identities: Binding mode prediction and docking enrichmentJason S E Loo, Abigail L Emtage, Kar Weng Ng, et al.Journal of Molecular Graphics & Modelling|January 26, 2018
Threocytidines: Insight into the Conformational Preferences of Artificial Threose Nucleic Acid (TNA) Building Blocks in B3LYP StudiesJustyna Bednarko, Oktawian Stachurski, Justyna Wielińska, et al.Journal of Molecular Graphics & Modelling|January 19, 2018
A recognition mechanism study: Luminescent metal-organic framework for the detection of nitro-explosivesZhengyan Zhao, Xuedan Song, Lei Liu, et al.Journal of Molecular Graphics & Modelling|February 8, 2018
Untying the knot of transcription factor druggability: Molecular modeling study of FOXM1 inhibitorsS Amirhossein Tabatabaei-Dakhili, Rodrigo Aguayo-Ortiz, Laura Domínguez, et al.Journal of Molecular Graphics & Modelling|February 8, 2018
Searching for potential mTOR inhibitors: Ligand-based drug design, docking and molecular dynamics studies of rapamycin binding siteRoger Kist, Luis Fernando Saraiva Macedo Timmers, Rafael Andrade CaceresPageof 407