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Elife|March 26, 2025
AI-based discovery and cryoEM structural elucidation of a KATP channel pharmacochaperoneAssmaa Elsheikh, Camden M Driggers, Ha H Truong, et al.The Journal of Organic Chemistry|April 6, 2011
Araiosamines A-D: tris-bromoindole cyclic guanidine alkaloids from the marine sponge Clathria (Thalysias) araiosaXiaomei Wei, Niel M Henriksen, Jack J Skalicky, et al.Archives of Biochemistry and Biophysics|December 17, 2016
Probing the orientation of inhibitor and epoxy-eicosatrienoic acid binding in the active site of soluble epoxide hydrolaseKin Sing Stephen Lee, Niel M Henriksen, Connie J Ng, et al.Journal of Natural Products|March 24, 2012
Totopotensamides, polyketide-cyclic peptide hybrids from a mollusk-associated bacterium Streptomyces spZhenjian Lin, Malem Flores, Imelda Forteza, et al.The Journal of Physical Chemistry. B|November 16, 2017
HYDROPHOBE Challenge: A Joint Experimental and Computational Study on the Host-Guest Binding of Hydrocarbons to Cucurbiturils, Allowing Explicit Evaluation of Guest Hydration Free-Energy ContributionsKhaleel I Assaf, Mara Florea, Jens Antony, et al.ACS Medicinal Chemistry Letters|August 14, 2024
AI Based Discovery of a New AKR1C3 Inhibitor for Anticancer ApplicationsAgnese C Pippione, Chiara Vigato, Cristina Tucciarello, et al.Journal of Computer-Aided Molecular Design|January 28, 2020
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculationsAndrea Rizzi, Travis Jensen, David R Slochower, et al.Journal of the American Chemical Society|July 19, 2019
Antitumor Activity of 1,18-Octadecanedioic Acid-Paclitaxel Complexed with Human Serum AlbuminCassandra E Callmann, Clare L M LeGuyader, Spencer T Burton, et al.Pageof 3