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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Thomas Lohr

4 results in Authors: Thomas Lohr

Biological and Medicinal Chemistry

Determination of Intermediate State Structures in the Opening Pathway of SARS-CoV-2 Spike Using Cryo-Electron Microscopy

Zacharias Faidon Brotzakis, Thomas Lohr, Michele Vendruscolo

Version 1 posted 12 November 2020

876

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Theoretical and Computational Chemistry

Sample Efficient Reinforcement Learning with Active Learning for Molecular Design

Michael Dodds, Jeff Guo, Thomas Löhr, Alessandro Tibo, Ola Engkvist, Jon Paul Janet

Version 1 posted 08 August 2023

820

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2

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Biological and Medicinal Chemistry

Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogs

Patrick Purder, Christian Meyners, Wisely Sugiarto, Jürgen Kolos, Frank Löhr, Jakob Gebel, Thomas Nehls, Volker Dötsch, Frederik Lermyte, Felix Hausch

Version 1 posted 12 May 2023

490

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Theoretical and Computational Chemistry

Estimation of ligand binding free energy using multi-eGO.

Bruno Stegani, Emanuele Scalone, Fran Bacic Toplek, Thomas Lohr, Stefano Gianni, Michele Vendruscolo, Riccardo Capelli, Carlo Camilloni

Version 1 posted 25 July 2024

378

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