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Protein-ligand interaction prediction based on heterogeneity maps and data enhancement.
J Biomol Struct Dyn
March 2025
School of Mechatronic Engineering and automation, Shanghai University, Shanghai, China.
Prediction of protein-ligand interactions is critical for drug discovery and repositioning. Traditional prediction methods are computationally intensive and limited in modeling structural changes. In contrast, data-driven deep learning methods significantly reduce computational costs and offer a more efficient approach for drug discovery.
View Article and Find Full Text PDFA qualitative study exploring community pharmacists' perceptions and experiences with information transfer from Queensland health hospitals during patients' transitions of care.
Int J Pharm Pract
March 2025
Griffith University School of Pharmacy and Medical Science, 1 Parklands Drive, Southport, QLD 4215, Australia.
Objective: This study explored community pharmacists' experiences and perceptions of information transfer from Queensland health hospitals for patients during transitions of care and the current utilization of electronic medical records for accessing patient information.
Methods: Qualitative methodology was used involving in-depth semi-structured interviews with community pharmacists to explore their experiences and perceptions with information transfer during patients' transitions of care. Purposive sampling was used to ensure the participation of community pharmacists who had experience with the medication management of patients discharged from Queensland health hospitals.
Biological Regulation Studied and with Modified Proteins.
Acc Chem Res
March 2025
Center for BioEnergetics, Biodesign Institute and School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287, United States.
ConspectusProteins and peptides occur ubiquitously in organisms and play key functional roles, as structural elements and catalysts. Their major natural source is ribosomal synthesis, which produces polypeptides from 20 amino acid building blocks. Peptides containing noncanonical amino acids have long been prepared by chemical synthesis, which has provided a wealth of physiologically active compounds.
View Article and Find Full Text PDFIndirect Anti-Markovnikov Hydrofunctionalization of Terminal Alkenes via an Alkenyl Thianthrenium Intermediate.
Angew Chem Int Ed Engl
March 2025
Research Centre for Natural Sciences: Termeszettudomanyi Kutatokozpont, Institute of Organic Chemistry, 2 Magyar tudósok körútja, 1117, Budapest, HUNGARY.
The anti-Markovnikov hydrofunctionalization of terminal, unactivated olefins is an evergreen synthetic challenge in organic chemistry. Several direct and indirect anti-Markovnikov methods have been developed, ranging from the classical hydroboration/oxidation protocol to state-of-the-art photoredox catalytic, transition metal complex-catalyzed and enzymatic procedures. Despite the ever-expanding suite of synthetic capabilities, these methods still have limited generality in their substrate scope, especially with nucleophiles.
View Article and Find Full Text PDFAddressing What Matters: A Pilot Study and Mixed Methods Evaluation of Patient Priorities Care in Four Clinical Settings.
J Am Geriatr Soc
March 2025
New England Geriatric Research, Education, and Clinical Centers (GRECC), VA Boston Healthcare System, Boston, Massachusetts, USA.
Background: Older adults with multiple chronic conditions face significant challenges with their health. Patient Priorities Care (PPC) is an Age-Friendly approach that explores 'what matters' by identifying values, care preferences, and health priorities, and aligning healthcare based on patients' health outcome goals.
Methods: Patient priorities care was implemented in four clinical settings (Hospital in Home, a transitional care case management program and in two embedded clinics within specialty care settings) within a large academically affiliated Veteran Affairs hospital system.
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