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Journal of Molecular Graphics & Modelling|August 6, 2023
Exploring the mechanism of the PTP1B inhibitors by molecular dynamics and experimental studyTian-Tian Zhao, Hao-Jie Hu, Li-Xin Gao, et al.Journal of Molecular Graphics & Modelling|July 24, 2023
Encapsulation of heavy metal ions via adsorption using cellulose/ZnO composite: First principles approachShivangi Garg, Neetu GoelJournal of Molecular Graphics & Modelling|June 15, 2023
First-principles, machine learning and symbolic regression modelling for organic molecule adsorption on two-dimensional CaO surfaceWenguang Hu, Lei ZhangJournal of Molecular Graphics & Modelling|June 16, 2023
Enhancing NLO performance by utilizing tyrian purple dye as donor moiety in organic DSSCs with end capped acceptors: A theoretical studyAbrar U Hassan, Sajjad H Sumrra, Ghulam Mustafa, et al.Journal of Molecular Graphics & Modelling|June 13, 2023
Cysteine carbonylation with reactive carbonyl species from lipid peroxidation induce local structural changes on thioredoxin active siteRafael Pineda-Alemán, Antistio Alviz-Amador, Rodrigo Galindo-Murillo, et al.Journal of Molecular Graphics & Modelling|March 13, 2017
Identifying the molecular functions of electron transport proteins using radial basis function networks and biochemical propertiesNguyen-Quoc-Khanh Le, Trinh-Trung-Duong Nguyen, Yu-Yen OuJournal of Molecular Graphics & Modelling|July 25, 2026
Structural and functional effects of carbonylation and phosphorylation on the Zu5-ANK domain: A molecular dynamics and docking studyIsaac De La Rosa Cogollo, Andrés Flórez-Valiente, Camila Cabarcas-Herrera, et al.Journal of Molecular Graphics & Modelling|July 28, 2026
Calcium dependent conformational changes in human transglutaminase 2 and its implications in celiac diseaseSrimari Srikanth, Pavinap Priyaa Karthikeyan, Mezya Sezen, et al.Journal of Molecular Graphics & Modelling|July 28, 2026
Beyond the catalytic site: Structural characterization of MERS-CoV nsp5 and its druggable binding pocketsVasyl V Hurmach, Olexandr P Motuziuk, Svitlana V Prylutska, et al.Journal of Molecular Graphics & Modelling|April 18, 2014
MaterialVis: material visualization tool using direct volume and surface rendering techniquesErhan Okuyan, Uğur Güdükbay, Ceyhun Bulutay, et al.Pageof 408