Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

158 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Second-generation de novo design: a view from a medicinal chemist perspective.
Zaliani A, Boda K, Seidel T, Herwig A, Schwab CH, Gasteiger J, Claussen H, Lemmen C, Degen J, Pärn J, Rarey M. Zaliani A, et al. Among authors: rarey m. J Comput Aided Mol Des. 2009 Aug;23(8):593-602. doi: 10.1007/s10822-009-9291-2. Epub 2009 Jun 27. J Comput Aided Mol Des. 2009. PMID: 19562260
The Internet as Scientific Knowledge Base: Navigating the Chem-Bio Space.
Stierand K, Harder T, Marek T, Hilbig M, Lemmen C, Rarey M. Stierand K, et al. Among authors: rarey m. Mol Inform. 2012 Aug;31(8):543-546. doi: 10.1002/minf.201200037. Epub 2012 Aug 7. Mol Inform. 2012. PMID: 23293679 Free PMC article. No abstract available.
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Günther S, Reinke PYA, Fernández-García Y, Lieske J, Lane TJ, Ginn HM, Koua FHM, Ehrt C, Ewert W, Oberthuer D, Yefanov O, Meier S, Lorenzen K, Krichel B, Kopicki JD, Gelisio L, Brehm W, Dunkel I, Seychell B, Gieseler H, Norton-Baker B, Escudero-Pérez B, Domaracky M, Saouane S, Tolstikova A, White TA, Hänle A, Groessler M, Fleckenstein H, Trost F, Galchenkova M, Gevorkov Y, Li C, Awel S, Peck A, Barthelmess M, Schlünzen F, Lourdu Xavier P, Werner N, Andaleeb H, Ullah N, Falke S, Srinivasan V, França BA, Schwinzer M, Brognaro H, Rogers C, Melo D, Zaitseva-Doyle JJ, Knoska J, Peña-Murillo GE, Mashhour AR, Hennicke V, Fischer P, Hakanpää J, Meyer J, Gribbon P, Ellinger B, Kuzikov M, Wolf M, Beccari AR, Bourenkov G, von Stetten D, Pompidor G, Bento I, Panneerselvam S, Karpics I, Schneider TR, Garcia-Alai MM, Niebling S, Günther C, Schmidt C, Schubert R, Han H, Boger J, Monteiro DCF, Zhang L, Sun X, Pletzer-Zelgert J, Wollenhaupt J, Feiler CG, Weiss MS, Schulz EC, Mehrabi P, Karničar K, Usenik A, Loboda J, Tidow H, Chari A, Hilgenfeld R, Uetrecht C, Cox R, Zaliani A, Beck T, Rarey M, Günther S, Turk D, Hinrichs W, Chapman HN, Pearson AR, Betzel C, Meents A. Günther S, et al. Among authors: rarey m. Science. 2021 May 7;372(6542):642-646. doi: 10.1126/science.abf7945. Epub 2021 Apr 2. Science. 2021. PMID: 33811162 Free PMC article.
ProteinsPlus: a comprehensive collection of web-based molecular modeling tools.
Schöning-Stierand K, Diedrich K, Ehrt C, Flachsenberg F, Graef J, Sieg J, Penner P, Poppinga M, Ungethüm A, Rarey M. Schöning-Stierand K, et al. Among authors: rarey m. Nucleic Acids Res. 2022 Jul 5;50(W1):W611-W615. doi: 10.1093/nar/gkac305. Nucleic Acids Res. 2022. PMID: 35489057 Free PMC article.
Modeling with Alternate Locations in X-ray Protein Structures.
Gutermuth T, Sieg J, Stohn T, Rarey M. Gutermuth T, et al. Among authors: rarey m. J Chem Inf Model. 2023 Apr 24;63(8):2573-2585. doi: 10.1021/acs.jcim.3c00100. Epub 2023 Apr 5. J Chem Inf Model. 2023. PMID: 37018549
158 results