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Althea Hansel-Harris

3 results in Authors: Althea Hansel-Harris

Theoretical and Computational Chemistry

Docking guidance with experimental ligand structural density improves docking pose prediction and virtual screening performance

Althea Hansel-Harris, Andreas Tillack, Diogo Santos-Martins, Matthew Holcomb, Stefano Forli

Version 1 posted 04 November 2024

335

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Theoretical and Computational Chemistry

Ringtail: a Python tool for efficient management and storage of virtual screening results

Althea Hansel-Harris, Andreas Tillack, Diogo Santos-Martins, Matthew Holcomb, Stefano Forli

Version 1 posted 15 November 2022

565

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Biological and Medicinal Chemistry

Reactive Docking: a computational method for high-throughput virtual screenings of reactive species

Giulia Bianco, Matthew Holcomb, Diogo Santos-Martins, Andreas Tillack, Althea Hansel-Harris, Stefano Forli

Version 1 posted 19 May 2023

469

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