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Journal of Molecular Graphics & Modelling|September 15, 2024
First-principle calculations to investigate mechanical and acoustical properties of predicted stable halide Perovskite ABX3Muhammad Shafiq, Bin Amin, Muhammad Awais Jehangir, et al.Journal of Molecular Graphics & Modelling|September 26, 2024
Evaluation of inhibition effect and interaction mechanism of antiviral drugs on main protease of novel coronavirus: Molecular docking and molecular dynamics studiesXin Gao, Cuihong Wang, Yue Jiang, et al.Journal of Molecular Graphics & Modelling|September 25, 2024
Clusters of solvated ferrous ion in water-ammonia mixture: Structures and noncovalent interactionsOusman Boukar, Alhadji Malloum, Mama Nsangou, et al.Journal of Molecular Graphics & Modelling|October 8, 2024
Dy-SheHeRASADe: A representation of the β sheet dynamics through surface descriptorsHayet Belghit, Manuel Dauchez, Jean-Marc Crowet, et al.Journal of Molecular Graphics & Modelling|August 14, 2024
Hex-star phosphorene nanosheets as sequencing material for DNA/RNA strands - A first-principles investigationV Nagarajan, N Reseeka, R ChandiramouliJournal of Molecular Graphics & Modelling|October 15, 2024
Adsorption dynamics of heavy oil droplets on silica: Effect of asphaltene anionic carboxylicPeng Cui, Heng Zhang, Shiling YuanJournal of Molecular Graphics & Modelling|October 15, 2024
Unwinding DNA strands by single-walled carbon nanotubes: Molecular docking and MD simulation approachGhazal Borhan, Mehdi SahihiJournal of Molecular Graphics & Modelling|September 23, 2024
Exploring the structural feature of water, alcohols, and their binary mixtures with concrete atomic charge assignments in Dreiding forcefieldChen Zhuang, Haoli Ji, Antian Xu, et al.Journal of Molecular Graphics & Modelling|September 20, 2024
The role of linkers and frustrated lewis pairs catalysts in the formation of zwitterionic 1,2-anti-addition product with non-conjugated terminal diacetylenes: A computational studyTulsi R Patel, Bishwajit GangulyJournal of Molecular Graphics & Modelling|August 4, 2024
Computational discovery of tripeptide inhibitors targeting monkeypox virus A42R profilin-like proteinThi-Thuy-Duong Pham, Quynh Mai Thai, Pham Nguyen Kim Tuyen, et al.Pageof 401