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Journal of Molecular Modeling|July 7, 2023
Evaluation interaction of graphene oxide with heparin for antiviral blockade: a study of ab initio simulations, molecular docking, and experimental analysisAndré Flores Dos Santos, Mirkos Ortiz Martins, Jerônimo Lameira, et al.Journal of Molecular Modeling|July 4, 2023
Biotransformation of 1-nitro-2-phenylethane 2-phenylethanol from fungi species of the Amazon biome: an experimental and theoretical analysisNeidy S S Dos Santos, Sávio Fonseca, Franco F Almeida, et al.Journal of Molecular Modeling|July 5, 2023
Proton transfer between sulfonic acids and various propylamines by density functional theory calculationsIrina V Fedorova, Lyubov P SafonovaJournal of Molecular Modeling|July 28, 2023
Theoretical analysis on D-π-A triphenylamine-based dyes for dye-sensitized solar cells: effect of π-bridges on the optoelectronic, and photovoltaic propertiesMalak Lazrak, Hamid Toufik, Si Mohamed Bouzzine, et al.Journal of Molecular Modeling|July 5, 2023
Novel fluorine-containing energetic materials: how potential are they? A computational study of detonation performanceJing Yang, Tiantian Bai, Junxia Guan, et al.Journal of Molecular Modeling|August 4, 2023
Investigation of catalytic activity of metal doped nanocages (Ni-C72 and Ni-Al36P36) for ozone decomposition to oxygen moleculesAlaa Dhari Jawad Al- Bayati, F Al-Dolaimy, Khalid Mujasam Batoo, et al.Journal of Molecular Modeling|August 1, 2023
Building a new reasonable atomic theoryDariush Habibollah ZadehJournal of Molecular Modeling|July 27, 2023
Kinetic simulation study of femtosecond laser processing of graphene oxide: first-principlesJianwei Zhai, Jinye Cui, Jinhua Zhang, et al.Journal of Molecular Modeling|August 16, 2023
Development and application of fragment-based de novo inhibitor design approaches against Plasmodium falciparum GSTMohammed Nooraldeen Mahmod Al-Qattan, Mohd Nizam MordiJournal of Molecular Modeling|August 1, 2023
Adsorption of industry affiliated gases on buckled aluminene for gas sensing applicationsMuhammad Isa Khan, Momina Ashfaq, Abdul Majid, et al.Pageof 696