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Solvation

Motivations, perceived risk, and tampering of XTAMPZA ER and abuse-deterrent opioid drugs

Hannah L. Burkett, Richard C. Dart, Joshua C. Black

Multiscale computational evaluation of Vitex trifolia phytochemicals as VEGFR2 inhibitors for targeted breast cancer therapy

Arooj Fatima, Muhammad Umer Khan, [ ... ], Muhammad Ikram Ullah

Unraveling the influence of defects on Sulfonamide adsorption onto Blue-phosphorene nanotube using density functional theory

José M. Vergara, Julian D. Correa, Miguel E. Mora-Ramos, Elizabeth Flórez

Predicting the polyspecificity of aminoacyl-tRNA synthetase for non-canonical amino acids using molecular dynamics simulation and MM/PBSA

Dongheon Lee, Jong-il Choi

Assessing nanobody interaction with SARS-CoV-2 Nsp9

Gennaro Esposito, Yamanappa Hunashal, [ ... ], Piergiorgio Percipalle

Building an ab initio solvated DNA model using Euclidean neural networks

Alex J. Lee, Joshua A. Rackers, Shivesh Pathak, William P. Bricker

When and how scientists influence technological performance: A moderated mediation model

Jinxing Ji, Jieyu Song, Na Liu

Designing peptides predicted to bind to the omicron variant better than ACE2 via computational protein design and molecular dynamics

Thassanai Sitthiyotha, Wantanee Treewattanawong, Surasak Chunsrivirot

Digital process control of multi-step assays on centrifugal platforms using high-low-high rotational-pulse triggered valving

Philip L. Early, Niamh A. Kilcawley, [ ... ], David J. Kinahan

How ligands regulate the binding of PARP1 with DNA: Deciphering the mechanism at the molecular level

Kai Wang, Yizhou Wu, [ ... ], Shuya Sun

Construction of sublingual trilaminated Eszopiclone fast dissolving film for the treatment of Insomnia: Formulation, characterization and In vivo clinical comparative pharmacokinetic study in healthy human subjects

Mahmoud Teaima, Mohamed Yasser, [ ... ], Doaa Helal

Transactions between self-esteem and perceived conflict in romantic relationships: A 5-year longitudinal study

Julia Richter, Christine Finn

Global structures and local network mechanisms of knowledge-flow networks

Marjan Cugmas, Anuška Ferligoj, Miha Škerlavaj, Aleš Žiberna

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