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Journal of Molecular Graphics & Modelling|June 25, 2018
Identification of COX-2 inhibitors via structure-based virtual screening and molecular dynamics simulationNima Razzaghi-Asl, Sahar Mirzayi, Karim Mahnam, et al.Journal of Molecular Graphics & Modelling|July 18, 2018
Molecular dynamics simulations on miscibility, glass transition temperature and mechanical properties of PMMA/DBP binary systemJing Li, Shaohua Jin, Guanchao Lan, et al.Journal of Molecular Graphics & Modelling|June 26, 2018
Boron fullerenes, Bn (n=20, 30, 38, 40, 50, 60): First principle calculations of electronic and optical propertiesSiddheshwar ChopraJournal of Molecular Graphics & Modelling|June 26, 2018
Visualizing convolutional neural network protein-ligand scoringJoshua Hochuli, Alec Helbling, Tamar Skaist, et al.Journal of Molecular Graphics & Modelling|October 2, 2018
Introducing nano-particle-type properties of Tin (n=2-6) clustersAli H Pakiari, M SalarhajiJournal of Molecular Graphics & Modelling|May 20, 2019
A nonparametric weighted feature extraction-based method for c-Jun N-terminal kinase-3 inhibitor predictionGonzalo Cerruela García, Nicolás García-PedrajasJournal of Molecular Graphics & Modelling|May 22, 2019
First-principles study of structures, electronic and elastic properties of LaNi5-xFex(x: 0.25-1.25)Jiashun Yan, Xiaofeng Zhao, Chuanyu Zhang, et al.Journal of Molecular Graphics & Modelling|May 6, 2019
Cryo-EM density map fitting driven in-silico structure of human soluble guanylate cyclase (hsGC) reveals functional aspects of inter-domain cross talk upon NO bindingRana Rehan Khalid, Arooma Maryam, Vasiliki E Fadouloglou, et al.Journal of Molecular Graphics & Modelling|May 15, 2019
Structure-based screening and validation of potential dengue virus inhibitors through classical and QM/MM affinity estimationMarawan Ahmed, Anil Kumar, Tom C Hobman, et al.Journal of Molecular Graphics & Modelling|October 9, 2018
Pharmacoinformatics analysis of merbarone binding site in human topoisomerase IIαNeha Tripathi, Sankar K Guchhait, Prasad V BharatamPageof 406