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Infrared spectroscopy captures detailed structure and action of organocatalyst in real time
In a collaborative effort, researchers at the University of Amsterdam and the HFML-FELIX institute in Nijmegen have been able ...
Machine learning method improves accuracy of inverse protein folding for drug design
An AI approach developed by researchers from the University of Sheffield and AstraZeneca, could make it easier to design ...
Molecular structure of tuberculosis efflux pump reveals how bacteria resist key antibiotic
Tuberculosis is the world's leading infectious cause of death, killing more than one million people each year. When the ...
Scientific Research Publishing3d
Nucleotide Relative Molecular Similarity within Anti-Psychotic Drug Structures ()
Williams, W. R. (2025) Nucleotide Relative Molecular Similarity within Anti-Psychotic Drug Structures. Journal of Biosciences and Medicines, 13, 106-117. doi: 10.4236/jbm.2025.136010 .
C&EN6d
Structure–Kinetics Relationships of Opioids from Metadynamics and Machine Learning Analysis
Center for Drug Evaluation and Research, United States Food and Drug Administration, Silver Spring, Maryland 20993, United States Department of Pharmaceutical Sciences, University of Maryland School ...