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Journal of Molecular Graphics & Modelling|November 26, 2021
Nano-porous C4N as a toxic pesticide's scavenger: A quantum chemical approachMisbah Asif, Hasnain Sajid, Khurshid Ayub, et al.Journal of Molecular Graphics & Modelling|November 26, 2021
The steroid mometasone alters protein containing lung surfactant monolayers in a concentration-dependent mannerMohammad Zohurul Islam, Sheikh I Hossain, Evelyne Deplazes, et al.Journal of Molecular Graphics & Modelling|January 6, 2022
Potential inhibitors for peroxiredoxin 6 of W. bancrofti: A combined study of modelling, structure-based drug design and MD simulationMuthusamy Sureshan, Dhamodharan Prabhu, Immanuel Aruldoss, et al.Journal of Molecular Graphics & Modelling|November 4, 2021
Molecular insights into the selective binding mechanism targeting parallel human telomeric G-quadruplexYue Wang, Guo Li, Tong Meng, et al.Journal of Molecular Graphics & Modelling|December 3, 2021
Molecular dynamics simulation of edge crack propagation in single crystalline alpha quartzFatemeh MolaeiJournal of Molecular Graphics & Modelling|January 3, 2022
Self-docking and cross-docking simulations of G protein-coupled receptor-ligand complexes: Impact of ligand type and receptor activation stateBrittany N Thomas, Abby L Parrill, Daniel L BakerJournal of Molecular Graphics & Modelling|November 19, 2021
DFT study of interaction of Palladium Pdn (n = 1-6) nanoparticles with deep eutectic solventsHamid Reza Ghenaatian, Mehdi Shakourian-Fard, Vali Alizadeh, et al.Journal of Molecular Graphics & Modelling|October 29, 2022
In silico design of fusion keratinocyte growth factor containing collagen-binding domain for tissue engineering applicationZahra Amidzadeh, Elham Rismani, Mohammad Ali Shokrgozar, et al.Journal of Molecular Graphics & Modelling|October 17, 2022
Force fields optimized against experimental data for large compound families using CombiFF: Validation considering non-target properties and polyfunctional compoundsMarina P Oliveira, Philippe H HünenbergerJournal of Molecular Graphics & Modelling|October 18, 2022
De novo design of anti-tuberculosis agents using a structure-based deep learning methodSowmya Ramaswamy Krishnan, Navneet Bung, Siladitya Padhi, et al.Pageof 408