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Journal of Molecular Graphics & Modelling|May 29, 2017
The role of CH/π interactions in the high affinity binding of streptavidin and biotinMotoyasu Ozawa, Tomonaga Ozawa, Motohiro Nishio, et al.Journal of Molecular Graphics & Modelling|June 16, 2019
Identification of novel small molecules against GSK3β for Alzheimer's disease using chemoinformatics approachRohit Shukla, Nupur S Munjal, Tiratha Raj SinghJournal of Molecular Graphics & Modelling|June 17, 2019
Pharmacophore model of immunocheckpoint protein PD-L1 by cosolvent molecular dynamics simulationsClaudia Mejías, Osmany GuirolaJournal of Molecular Graphics & Modelling|September 12, 2018
Selection rules on initial structures in parallel cascade selection molecular dynamics affect conformational sampling efficiencyRyuhei Harada, Yasuteru ShigetaJournal 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-PedrajasPageof 401