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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

(3)

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Working Paper

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high-throughput docking

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3 results in Keywords: high-throughput docking

Biological and Medicinal Chemistry

The wins and failures of current docking methods tested on the flexible active site of cytochromes P450

Dominik Suwała, Eugen Hruška

Version 1 posted 29 November 2024

104

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Theoretical and Computational Chemistry

Combination of pose and rank consensus in docking-based virtual screening: the best of both worlds

Valeria Scardino, Mariela Bollini, Claudio Cavasotto

Version 1 posted 30 July 2021

684

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Theoretical and Computational Chemistry

In silico Drug Repurposing for COVID-19: Targeting SARS-CoV-2 Proteins through Docking and Quantum Mechanical Scoring

Claudio Cavasotto, Juan Di Filippo

Version 2 posted 18 May 2020

2,888

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2

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