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Tobias Huefner

Title(s)Postdoctoral Scholar, School of Pharmacy and Pharmaceutical Science
SchoolVc-health Sciences-schools
Address9500 Gilman Drive #
La Jolla CA 92093
ORCID ORCID Icon0000-0003-1457-3603 Additional info
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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help. to make corrections and additions.
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    Altmetrics Details PMC Citations indicate the number of times the publication was cited by articles in PubMed Central, and the Altmetric score represents citations in news articles and social media. (Note that publications are often cited in additional ways that are not shown here.) Fields are based on how the National Library of Medicine (NLM) classifies the publication's journal and might not represent the specific topic of the publication. Translation tags are based on the publication type and the MeSH terms NLM assigns to the publication. Some publications (especially newer ones and publications not in PubMed) might not yet be assigned Field or Translation tags.) Click a Field or Translation tag to filter the publications.
    1. Diamondoid Amino Acid-Based Peptide Kinase A Inhibitor Analogues. ChemMedChem. 2019 03 22; 14(6):663-672. Müller J, Kirschner RA, Berndt JP, Wulsdorf T, Metz A, Hrdina R, Schreiner PR, Geyer A, Klebe G. PMID: 30677243.
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    2. Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun. 2018 09 03; 9(1):3559. Schiebel J, Gaspari R, Wulsdorf T, Ngo K, Sohn C, Schrader TE, Cavalli A, Ostermann A, Heine A, Klebe G. PMID: 30177695.
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    3. On the Implication of Water on Fragment-to-Ligand Growth in Kinase Binding Thermodynamics. ChemMedChem. 2018 09 19; 13(18):1988-1996. Wienen-Schmidt B, Wulsdorf T, Jonker HRA, Saxena K, Kudlinzki D, Linhard V, Sreeramulu S, Heine A, Schwalbe H, Klebe G. PMID: 30058283.
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    4. Paradoxically, Most Flexible Ligand Binds Most Entropy-Favored: Intriguing Impact of Ligand Flexibility and Solvation on Drug-Kinase Binding. J Med Chem. 2018 Jul 26; 61(14):5922-5933. Wienen-Schmidt B, Jonker HRA, Wulsdorf T, Gerber HD, Saxena K, Kudlinzki D, Sreeramulu S, Parigi G, Luchinat C, Heine A, Schwalbe H, Klebe G. PMID: 29909615.
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    5. Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis. ACS Chem Biol. 2017 05 19; 12(5):1397-1415. Rechlin C, Scheer F, Terwesten F, Wulsdorf T, Pol E, Fridh V, Toth P, Diederich WE, Heine A, Klebe G. PMID: 28287700.
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    6. A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. Angew Chem Int Ed Engl. 2017 02 06; 56(7):1908-1913. Cramer J, Schiebel J, Wulsdorf T, Grohe K, Najbauer EE, Ehrmann FR, Radeva N, Zitzer N, Linne U, Linser R, Heine A, Klebe G. PMID: 28097765.
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    7. Elucidating the Origin of Long Residence Time Binding for Inhibitors of the Metalloprotease Thermolysin. ACS Chem Biol. 2017 01 20; 12(1):225-233. Cramer J, Krimmer SG, Fridh V, Wulsdorf T, Karlsson R, Heine A, Klebe G. PMID: 27959500.
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    8. Impact of Surface Water Layers on Protein--Ligand Binding: How Well Are Experimental Data Reproduced by Molecular Dynamics Simulations in a Thermolysin Test Case? J Chem Inf Model. 2016 Jan 25; 56(1):223-33. Betz M, Wulsdorf T, Krimmer SG, Klebe G. PMID: 26691064.
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