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Journal of Molecular Graphics & Modelling|January 10, 2025
On the steroids extracted from soft corals against the NS3/4A protease of hepatitis C virusDuy Phuong Nguyen, Ha Xuan Nguyen, Hue Van Nguyen, et al.Journal of Molecular Graphics & Modelling|March 8, 2025
The ability of ZnO and MgO nanocages for adsorption and sensing performance of anticancer drug detectionMohamed J Saadh, Ali B M Ali, Z Hanoon, et al.Journal of Molecular Graphics & Modelling|March 8, 2025
Exploring tiopronin adsorption on pristine and Al/Ga-doped boron nitride nanoclusters: A DFT approach for enhanced drug deliveryEbtesam Khodayar, Behnaz Abyaz, Morteza Zare, et al.Journal of Molecular Graphics & Modelling|March 7, 2025
Las Vegas algorithm in the prediction of intrinsic solubility of drug-like compoundsAleksandar M Veselinović, Alla P Toropova, Andrey A Toropov, et al.Journal of Molecular Graphics & Modelling|December 3, 2024
Investigation on the effect of Co doping on structure, electronic, and hydrogen storage properties of Mg2FeH6Li Ping Ding, Fei Yue Qiao, Hong Yuan Xu, et al.Journal of Molecular Graphics & Modelling|March 2, 2025
Targeting GPR52 for potential agonists for schizophrenia therapy: A computational drug discovery studySelinay Demir, Güzin Tunca AlparslanJournal of Molecular Graphics & Modelling|December 9, 2024
Unraveling Interleukin-1β inhibition: Computational insights into anti-inflammatory compound selection for inflammatory disordersMadiha Sardar, Ali Raza Siddiqui, Nadeem Ahmad, et al.Journal of Molecular Graphics & Modelling|September 4, 2024
Identification of potential inhibitors against Corynebacterium diphtheriae MtrA response regulator protein; an in-silico drug discovery approachZunera Khalid, Amen Shamim, Mohamed J Saadh, et al.Journal of Molecular Graphics & Modelling|August 20, 2024
First-principles study of electrochemical H2O2 production on Pd-B40 single-atom catalystJunkai Wang, Jingyi Xing, Yifei Wang, et al.Journal of Molecular Graphics & Modelling|August 25, 2024
Immunoinformatic approach for multi-epitope vaccine design against Staphylococcus aureus based on hemolysin proteinsLennin Isaac Garrido-Palazuelos, Arath Andrés Almanza-Orduño, Maaz Waseem, et al.Pageof 408