LEADS-FRAG: A Benchmark Data Set for Assessment of Fragment Docking Performance

Autor: Chachulski, L., Windshügel, B.

Fragment-based drug design is a popular approach in drug discovery, which makes use of computational methods such as molecular docking. To assess fragment placement performance of molecular docking programs, we constructed LEADS-FRAG, a benchmark dat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______610::95606aff7b5f8227bb43cd0b925aecea
https://publica.fraunhofer.de/handle/publica/269489

Creeping Environmental Problems in the Pamir Mountains: Landscape Conditions, Climate Change, Wise Use and Threats.

Autor: Metrak, M., Sulwinski, M., Chachulski, L., Wilk, M., Suska-Malawska, M.

Publikováno v: Climate Change Impacts on HighAltitude Ecosystems; 2015, p665-694, 30p

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LEADS-FRAG: A Benchmark Data Set for Assessment of Fragment Docking Performance.

Autor: Chachulski L; Fraunhofer Institute for Molecular Biology and Applied Ecology IME, ScreeningPort, Hamburg 22525, Germany.; Jacobs University Bremen gGmbH, Bremen 28759, Germany., Windshügel B; Fraunhofer Institute for Molecular Biology and Applied Ecology IME, ScreeningPort, Hamburg 22525, Germany.; Institute for Biochemistry and Molecular Biology, Department of Chemistry, Universität Hamburg, Hamburg 20146, Germany.

Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2020 Dec 28; Vol. 60 (12), pp. 6544-6554. Date of Electronic Publication: 2020 Dec 08.