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Chemical bonding

Virtual screening of Kocuria oceani AT-1 metabolites as potential maize growth regulators under drought conditions using molecular docking and dynamics simulation

Muhammad Usama, Mahwish Salman, Ghulam Mustafa

Structure-guided identification of a potential inhibitor targeting the VacA toxin of Helicobacter pylori

Farzana Akter, Md. Nur Islam, [ ... ], Md. Murad Hossain

Comparative evaluation of root canal obturation techniques and sealers in Diabetic Dentin: An in-vitro push-out bond strength test

Mevlüt Sinan Ocak, Mehmet Eskibağlar, Mustafa Gündoğar

Aptamer-functionalized stiff hydrogel for enhanced BMSC enrichment and osteogenesis

Jifeng Jing, Fengyu Li, [ ... ], Lei Guo

Aging-induced multi-scale study on the interfacial adhesion mechanism of steel slag and RAP recycled asphalt mixtures

Yaodong Zhang, Yanan Cui, Shun Guo, Zhiyong Li

Enhancing perovskite solar cells efficiency via dual surface passivation

Refka Sai, Shrouq H. Aleithan

Heptapharmacological activity of Quercetin-3-O-phosphate against lung cancer pathways

Maryam Abdulrahman Alahdal, Hadil Alahdal, [ ... ], Abeer Al Tuwaijri

Integrative metagenomics and structural bioinformatics identify explainable gut microbial variants associated with Crohn’s disease

Nadeem Khan, Muhammad Muneeb Nasir, [ ... ], Masood Ur Rehman Kayani

Preparation and physicochemical characterization of a biodegradable chitosan/carboxymethyl cellulose hydrogel synthesized in NaOH/urea medium

Johanna Morales, Allan Vásquez, Irma Patricia Orellana Catalán

AI-driven molecular diversification and ligand-based optimization of macitentan derivatives targeting VEGFR1 and endothelin signaling pathways

Sümeyra Koç Sahin, Nouman Ali

GC–MS based tentative identification of γ-sitosterol from Brassica nigra seeds and evaluation of its anticancer potential: An integrated in vitro and in silico study

Sajidur Rahman Akash, Tawsif Al Arian, [ ... ], Md. Sarafat Ali

Integrated in silico and in vivo larvicidal evaluation of compounds targeting juvenile hormone for malaria vector control

Eric Kibagendi Osoro, Adeniyi Ayinde Abdulwahab, [ ... ], Damilola Samuel Bodun

In silico screening and molecular analyses identify apigenin from Scutellaria barbata as a potent AKT1 inhibitor in breast cancer

Md. Maruf Khan, Md. Arju Hossain, [ ... ], M. Nazmul Hoque

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