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BCL::Conf: Improved open-source knowledge-based conformation sampling using the Crystallography Open Database

J. Mendenhall, B. Brown, S. Kothiwale, and J. Meiler. J. Chem. Inf. Model., 61 (1): 189--201 (January 2021)

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Martin Potthast

Zero-shot Generative Large Language Models for Systematic Review Screening AutomationS. Wang, H. Scells, S. Zhuang, M. Potthast, B. Koopman, and G. Zuccon. Advances in Information Retrieval. 46th European Conference on IR Research (ECIR 2024), volume 14608 of Lecture Notes in Computer Science, page 403--420. Berlin Heidelberg New York, Springer, (March 2024)Identifying queries in instant search logsM. Fischer, K. Komlossy, B. Stein, M. Potthast, and M. Hagen. Proceedings of the 44th International ACM SIGIR Conference on Research and Development in Information Retrieval, New York, NY, USA, ACM, (July 2021)28. September - 2. Oktober 2020M. Völske, J. Bevendorff, J. Kiesel, B. Stein, M. Fröbe, M. Hagen, and M. Potthast. Gesellschaft für Informatik, Bonn, (2021)

Other publications of authors with the same name

General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore MapsB. Brown, J. Mendenhall, A. Geanes, and J. Meiler. Journal of Chemical Information and Modeling, 61 (2): 603â620 (January 2021)Introduction to the BioChemical Library (BCL): An application-based open-source toolkit for integrated cheminformatics and machine learning in computer-aided drug discoveryB. Brown, O. Vu, A. Geanes, S. Kothiwale, M. Butkiewicz, E. Lowe, Jr, R. Mueller, R. Pape, J. Mendenhall, and J. Meiler. Front. Pharmacol., (February 2022)Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug DiscoveryB. Brown, O. Vu, A. Geanes, S. Kothiwale, M. Butkiewicz, E. Lowe, R. Mueller, R. Pape, J. Mendenhall, and J. Meiler. Frontiers in Pharmacology, (February 2022)Approximating conformational Boltzmann distributions with AlphaFold2 predictionsB. Brown, R. Stein, J. Meiler, and H. Mchaourab. (August 2023)Approximating Projections of Conformational Boltzmann Distributions with AlphaFold2 Predictions: Opportunities and LimitationsB. Brown, R. Stein, J. Meiler, and H. Mchaourab. Journal of Chemical Theory and Computation, 20 (3): 1434â1447 (January 2024)Computer-Aided Design and Biological Evaluation of Diazaspirocyclic D4R AntagonistsC. Jones, B. Brown, D. Schultz, J. Engers, V. Kramlinger, J. Meiler, and C. Lindsley. ACS Chemical Neuroscience, 15 (12): 2396â2407 (June 2024)Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individualsN. Bozhanova, A. Flyak, B. Brown, S. Ruiz, J. Salas, S. Rho, R. Bombardi, L. Myers, C. Soto, J. Bailey and 3 other author(s). Nat. Commun., 13 (1): 3178 (June 2022)BCL::Conf: Improved open-source knowledge-based conformation sampling using the Crystallography Open DatabaseJ. Mendenhall, B. Brown, S. Kothiwale, and J. Meiler. J. Chem. Inf. Model., 61 (1): 189--201 (January 2021)

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Disambiguation of "Brown, Benjamin P"

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BCL::Conf: Improved open-source knowledge-based conformation sampling using the Crystallography Open Database

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Martin Potthast

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Disambiguation of "Brown, Benjamin P"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML BCL::Conf: Improved open-source knowledge-based conformation sampling using the Crystallography Open Database

Please choose a person to relate this publication to

Martin Potthast

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BCL::Conf: Improved open-source knowledge-based conformation sampling using the Crystallography Open Database