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5 results in Keywords: conformers

Theoretical and Computational Chemistry

Bayesian Optimization for Conformer Generation

Lucian Chan, Geoffrey Hutchison, Garrett Morris

Version 4 posted 12 February 2019

1,949

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Biological and Medicinal Chemistry

In silico screening for natural ligands to non-structural nsp7 conformers of SARS coronaviruses

Rafael Blasco, Julio Coll

Version 2 posted 11 December 2020

908

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Biological and Medicinal Chemistry

Would It Be Possible to Stabilize Prefusion SARS-COV-2 Spikes with Ligands?

Lorenzo, M.M., Rafael Blasco, Julio Coll

Version 2 posted 09 June 2021

612

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Theoretical and Computational Chemistry

Conformational Pruning via the Permutation Invariant Root Mean Square Deviation of Atomic Positions

Version 1 posted 11 November 2024

89

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Efficiency and suitability when exploring the conformational space of phase transfer catalysts

Iñigo Iribarren, Cristina Trujillo

Version 2 posted 27 July 2022

272

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