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A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins.

, , , , , , , , и . J. Chem. Inf. Model., 55 (10): 2256-2274 (2015)

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Johanna-Julia Walter

Der Einfluss von IL-10 auf die allergeninduzierte IL-4- und IL-13-Freisetzung aus basophilen Granulozyten von Patienten mit Wespengiftallergie. Uni München, (2009)

Walter Halstrick

Walter Hamm

Walter Heyland

Walter Heyn

 

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CUDA Accelerated Blobby Molecular Surface Generation., , , , , , и . PPAM (1), том 7203 из Lecture Notes in Computer Science, стр. 347-356. Springer, (2011)SHREC 2021: Retrieval and classification of protein surfaces equipped with physical and chemical properties., , , , , , , , , и 14 other автор(ы). Comput. Graph., (2021)CUDA accelerated molecular surface generation., , , , , и . Concurr. Comput. Pract. Exp., 26 (10): 1819-1831 (2014)AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets., , , и . ISMB (Supplement of Bioinformatics), стр. 58-65. (2006)Solving the Linearized Poisson-Boltzmann Equation on GPUs Using CUDA., , , , и . PDP, стр. 420-426. IEEE Computer Society, (2013)Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations, , , , , и . Scientific Reports, (июня 2015)A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins., , , , , , , , и . J. Chem. Inf. Model., 55 (10): 2256-2274 (2015)Similarities and Differences in Ligand Binding to Protein and RNA Targets: The Case of Riboflavin., , , и . J. Chem. Inf. Model., 64 (11): 4570-4586 (2024)