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Theoretical and Computational Chemistry

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mfcc

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2 results in Keywords: mfcc

Theoretical and Computational Chemistry

A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions

Johannes R. Vornweg, Mario Wolter, Christoph R. Jacob

Version 3 posted 29 March 2023

429

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Theoretical and Computational Chemistry

Protein-Ligand Interaction Energies from Quantum-Chemical Fragmentation Methods: Upgrading the MFCC-Scheme with Many-Body Contributions

Johannes R. Vornweg, Christoph Jacob

Version 1 posted 22 August 2024

149

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