Publications by authors named "Uta Lessel"

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CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.
Oleksandra Herasymenko, Madhushika Silva, Abd Al-Aziz A Abu-Saleh, Ayaz Ahmad, Jesus Alvarado-Huayhuaz, Uta Lessel

J Chem Inf Model· July 2025

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The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks.
Christian Kramer, John Chodera, Kelly L Damm-Ganamet, Michael K Gilson, Judith Günther, Uta Lessel

J Chem Inf Model· March 2025

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CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.
Fengling Li, Suzanne Ackloo, Cheryl H Arrowsmith, Fuqiang Ban, Christopher J Barden, Uta Lessel

J Chem Inf Model· November 2024

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Enhanced Calculation of Property Distributions in Chemical Fragment Spaces.
Justin Lübbers, Uta Lessel, Matthias Rarey

J Chem Inf Model· March 2024

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Target 2035 - an update on private sector contributions.
Suzanne Ackloo, Albert A Antolin, Jose Manuel Bartolome, Hartmut Beck, Alex Bullock, Uta Lessel

RSC Med Chem· June 2023

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CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding.
Suzanne Ackloo, Rima Al-Awar, Rommie E Amaro, Cheryl H Arrowsmith, Hatylas Azevedo, Uta Lessel

Nat Rev Chem· April 2022

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Identification of Highly Selective Orexin 1 Receptor Antagonists Driven by Structure-Based Design.
Uta Lessel, Marco Ferrara, Niklas Heine, Chiara Marelli, Laura Carrettoni

J Chem Inf Model· December 2021

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Comparison of Large Chemical Spaces.
Uta Lessel, Christian Lemmen

ACS Med Chem Lett· October 2019

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The power of combining phenotypic and target-focused drug discovery.
Ralf Heilker, Uta Lessel, Daniel Bischoff

Drug Discov Today· February 2019

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Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization.
Anna S Kamenik, Uta Lessel, Julian E Fuchs, Thomas Fox, Klaus R Liedl

J Chem Inf Model· May 2018

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Identification of new potent GPR119 agonists by combining virtual screening and combinatorial chemistry.
Bernd Wellenzohn, Uta Lessel, Andreas Beller, Timo Isambert, Christoph Hoenke

J Med Chem· December 2012

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Design of combinatorial libraries for the exploration of virtual hits from fragment space searches with LoFT.
Uta Lessel, Bernd Wellenzohn, J Robert Fischer, Matthias Rarey

J Chem Inf Model· February 2012

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Improving similarity-driven library design: customized matching and regioselective feature trees.
J Robert Fischer, Uta Lessel, Matthias Rarey

J Chem Inf Model· September 2011

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LoFT: similarity-driven multiobjective focused library design.
J Robert Fischer, Uta Lessel, Matthias Rarey

J Chem Inf Model· January 2010

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Searching Fragment Spaces with feature trees.
Uta Lessel, Bernd Wellenzohn, Markus Lilienthal, Holger Claussen

J Chem Inf Model· February 2009

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