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Analytical Chemistry

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Biological and Medicinal Chemistry

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Ligand-based virtual screening

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3 results in Keywords: Ligand-based virtual screening

Biological and Medicinal Chemistry

Discovery of novel drug-like antitubercular hits targeting the MEP pathway enzyme DXPS by strategic application of ligand-based virtual screening

Di Zhu, Sandra Johannsen, Tiziana Masini, Céline Simonin, Jörg Haupenthal, Boris Illarionov, Anastasia Andreas, Mahendra Awale, Robin M. Gierse, Tridia van der Laan, Ramon van der Vlag, Rita Nasti, Mael Poizat, Eric Buhler, Norbert Reiling, Rolf Müller, Markus Fischer, Jean-Louis Reymond, Anna K. H. Hirsch

Version 2 posted 11 April 2022

364

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Theoretical and Computational Chemistry

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

Robin Winter, Floriane Montanari, Frank Noé, Djork-Arné Clevert

Version 1 posted 30 July 2018

1,580

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Biological and Medicinal Chemistry

AutoDock-SS: AutoDock for Multiconformational Ligand-based Virtual Screening

Boyang Ni, Haoying Wang, Huda Khalaf, Vincent Blay-Roger, Douglas R Houston

Version 1 posted 12 May 2023

550

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