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Journal of Molecular Graphics & Modelling|February 28, 2015
Human PD-1 binds differently to its human ligands: a comprehensive modeling studyClement Viricel, Marawan Ahmed, Khaled BarakatJournal of Molecular Graphics & Modelling|May 26, 2023
Predicting bioactivity of antibiotic metabolites by molecular docking and dynamicsHokin Chio, Ellen E Guest, Jon L Hobman, et al.Journal of Molecular Graphics & Modelling|March 31, 2015
Interactions between Bcl-xl and its inhibitors: Insights into ligand design from molecular dynamics simulationPrerna Priya, Atanu Maity, Sarmistha Majumdar, et al.Journal of Molecular Graphics & Modelling|July 15, 2020
Strengthening of halogen bond in XCl∙∙∙FH∙∙∙F- through cooperativity with a strong hydrogen bond and proton transferZongsheng Li, Xiulin AnJournal of Molecular Graphics & Modelling|July 14, 2020
The second-order NLO property of a photoswitchable heteroditpioc ion-pair receptor based on 2-pyridyl acylhydrazone linking with 2,6-pyridine bisamide: The impacts of metal cations and anionsYao Yao, Yuan Zhang, Xiang Li, et al.Journal of Molecular Graphics & Modelling|July 14, 2020
Design of antitumor drugs targeting c-kit receptor by a new mixed ligand-structure based methodAnnamaria Martorana, Antonino LauriaJournal of Molecular Graphics & Modelling|July 14, 2020
Identification of inhibitor binding hotspots in Acinetobacter baumannii β-ketoacyl acyl carrier protein synthase III using molecular dynamics simulationYuna Ha, Mihee Jang, Sehan Lee, et al.Journal of Molecular Graphics & Modelling|July 27, 2020
High sensitivity of graphdiyne nanoflake toward detection of phosgene, thiophosgene and phosogenoxime; a first-principles studySidra Khan, Hasnain Sajid, Khurshid Ayub, et al.Journal of Molecular Graphics & Modelling|August 2, 2020
Modelling of short synthetic antifreeze peptides: Insights into ice-pinning mechanismEnrico Gandini, Maurizio Sironi, Stefano PieracciniJournal of Molecular Graphics & Modelling|August 2, 2020
Molecular modeling and in vitro study on pyrocatechol as potential pharmacophore of CD151 inhibitorManasa Akella, RamaRao MallaPageof 408