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A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions.
Spronk SA, Glick ZL, Metcalf DP, Sherrill CD, Cheney DL. Spronk SA, et al. Sci Data. 2023 Sep 12;10(1):619. doi: 10.1038/s41597-023-02443-1. Sci Data. 2023. PMID: 37699937 Free PMC article.
Fast and accurate calculation of intermolecular interaction energies is desirable for understanding many chemical and biological processes, including the binding of small molecules to proteins. The Splinter ["Symmetry-adapted perturbation theory (SAPT0) protein-ligand inte …
Fast and accurate calculation of intermolecular interaction energies is desirable for understanding many chemical and biological processes, …
Sorafenib induces delayed-onset cutaneous hypersensitivity: a case series.
Sohn KH, Oh SY, Lim KW, Kim MY, Lee SY, Kang HR. Sohn KH, et al. Allergy Asthma Immunol Res. 2015 May;7(3):304-7. doi: 10.4168/aair.2015.7.3.304. Epub 2014 Mar 5. Allergy Asthma Immunol Res. 2015. PMID: 25749785 Free PMC article.
Common adverse effects induced by sorafenib include hand-foot skin reactions, facial erythema, splinter subungual hemorrhage, and alopecia. Although erythema multiforme (EM) related to sorafenib has been reported, delayed-type cutaneous hypersensitivity reactions are rare …
Common adverse effects induced by sorafenib include hand-foot skin reactions, facial erythema, splinter subungual hemorrhage, and alo …
Energy spectrum and density of states for a graphene quantum dot in a magnetic field.
Horing NJ, Liu SY. Horing NJ, et al. J Phys Condens Matter. 2010 Jan 20;22(2):025502. doi: 10.1088/0953-8984/22/2/025502. Epub 2009 Dec 10. J Phys Condens Matter. 2010. PMID: 21386256
Considering a delta((2))(r) potential well that supports just one subband state in the well in the absence of a magnetic field, the effect of Landau quantization is to 'splinter' this single energy level into a proliferation of many Landau-quantized states within the well. …
Considering a delta((2))(r) potential well that supports just one subband state in the well in the absence of a magnetic field, the effect o …