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Journal of Molecular Graphics & Modelling|August 28, 2025
Exploring the interaction between a LRRK2/PP1CA interfering peptide and PP1CAJose Dominguez-Meijde, Samuel Murail, Rachid Boudjelloul, et al.Journal of Molecular Graphics & Modelling|August 22, 2021
Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experimentAnna Antoniak, Iga Biskupek, Krzysztof K Bojarski, et al.Journal of Molecular Graphics & Modelling|August 2, 2021
Reproduction of macroscopic properties of unsaturated triacylglycerides using a modified NERD force fieldRobert J Cordina, Beccy Smith, Tell TuttleJournal of Molecular Graphics & Modelling|May 27, 2020
Designing a multi-epitope vaccine against blood-stage of Plasmodium falciparum by in silico approachesPeyman Bemani, Zahra Amirghofran, Mozafar MohammadiJournal of Molecular Graphics & Modelling|August 20, 2022
Molecular simulations of fluoxetine in hydrated lipid bilayers, as well as in aqueous solutions containing β-cyclodextrinGrigorios Megariotis, Georgios Mikaelian, Aggelos Avramopoulos, et al.Journal of Molecular Graphics & Modelling|May 15, 2021
Rational design, chemical synthesis and cellular evaluation of novel 1,3-diynyl derivatives of noscapine as potent tubulin binding anticancer agentsAmiya Kumar Patel, Rajesh Kumar Meher, Praveen Kumar Reddy, et al.Journal of Molecular Graphics & Modelling|August 4, 2022
Simulation study of the mechanism of mesoscopic adsorption and the evolution of molecular dynamics of a surfactant/polymer composite on the surface of low rank coalQiu Bao, Jingzhi Xu, Wen Nie, et al.Journal of Molecular Graphics & Modelling|August 14, 2022
Dual modification to stabilize Non-IPR C72 fullerene: A new theoretical strategySoumadip Banerjee, Tamalika Ash, Tanay Debnath, et al.Journal of Molecular Graphics & Modelling|August 14, 2022
Photodegradation of dye using Polythiophene/ZnO nanocomposite: A computational approachShivangi Garg, Neetu GoelJournal of Molecular Graphics & Modelling|August 6, 2022
Pharmacophore modelling, docking and molecular dynamic simulation studies in the discovery of potential human renin inhibitorsMohammad Halimi, Amirhossein HajipashaPageof 406