Research co-led by University of Toronto researchers and Insilico Medicine has demonstrated the potential of quantum ...

State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen ...

A novel geometric deep learning framework designs ligand-specific protein binders, enhancing therapeutic potential in cell therapies and synthetic biology.

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The method presents a strong foundation for broader applications in identifying physiologically and pharmacologically relevant membrane protein-ligand interactions. Integral membrane proteins (IMPs) ...

"The chiral and bulky environment built by ligand has endowed this Cu(II)-bound OCR with an increased HAA ability as well as the capabilities to precisely distinguish similar C-H bonds," explained ...

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Substrate and inhibitor binding are distinguished by major TM rearrangements and their ligand binding chemistry, with TM4 playing a central role in all conformational transitions. Furthermore, our ...