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Journal of Molecular Graphics & Modelling|January 27, 2005
Construction of a 3D model of nattokinase, a novel fibrinolytic enzyme from Bacillus natto. A novel nucleophilic catalytic mechanism for nattokinaseZhong-liang Zheng, Zhen-yu Zuo, Zhi-gang Liu, et al.Journal of Molecular Graphics & Modelling|November 27, 2021
Machine learning and deep learning enabled fuel sooting tendency prediction from molecular structureRunzhao Li, Jose Martin Herreros, Athanasios Tsolakis, et al.Journal of Molecular Graphics & Modelling|September 9, 2022
In-silico study of the adsorption of H2, CO and CO2 chemical species on (TiO2)n n=15-20 clusters: The (TiO2)19 case as candidate promisingA Bautista Hernández, E Chigo Anota, F Severiano Carrillo, et al.Journal of Molecular Graphics & Modelling|September 11, 2022
Discovery of novel potential CRBN modulators through structure-based virtual screening and bioassayFeng Xiong, Ling-Yun Zhou, Liang Chen, et al.Journal of Molecular Graphics & Modelling|December 16, 2021
Structures, binding energies and non-covalent interactions of furan clustersAlhadji Malloum, Jeanet ConradieJournal of Molecular Graphics & Modelling|December 25, 2021
N-doped direction-dependent electronic and mechanical properties of single-walled carbon nanotube (SWCNT) from a first-principles density functional theory (DFT) and MD-simulationY T Singh, P K Patra, K O Obodo, et al.Journal of Molecular Graphics & Modelling|November 4, 2021
Identification of potential antileishmanial agents via structure-based molecular simulationsNima Razzaghi-Asl, Niloufar HashemiJournal of Molecular Graphics & Modelling|November 4, 2021
Statistical potentials for RNA-protein interactions optimized by CMA-ESTakayuki Kimura, Nobuaki Yasuo, Masakazu Sekijima, et al.Journal of Molecular Graphics & Modelling|November 6, 2022
Biased agonists differentially modulate the receptor conformation ensembles in Angiotensin II type 1 receptorAnita K Nivedha, Sangbae Lee, Nagarajan VaidehiJournal of Molecular Graphics & Modelling|November 6, 2022
In silico assessment of missense point mutations on human cathelicidin LL-37William F Porto, Sergio A AlencarPageof 400