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Theoretical and Computational Chemistry

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Theoretical and Computational Chemistry

Embedding non-rigid solutes in an averaged environment: a case study on rhodopsins

Niccolò Ricardi, Cristina Elizabeth González-Espinoza, Suliman Adam, Jonathan Church, Igor Schapiro, Tomasz Adam Wesolowski

Version 1 posted 09 November 2021

220

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Theoretical and Computational Chemistry

Modelling local and general quantum mechanical properties with attention-based pooling

David Buterez, Jon Paul Janet, Steven J. Kiddle, Dino Oglic, Pietro Liò

Version 1 posted 08 June 2023

252

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