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Estimation of the protein–ligand interaction energy for model building and validation

Macromolecular X-ray crystallography is one of the main experimental techniques to visualize protein–ligand interactions. The high complexity of the ligand universe, however, has delayed the development of efficient methods for the automated identification, fitting and validation of ligands in their...

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Shranjeno v:
Bibliografske podrobnosti
izdano v:Acta Crystallogr D Struct Biol
Main Authors: Beshnova, Daria A., Pereira, Joana, Lamzin, Victor S.
Format: Artigo
Jezik:Inglês
Izdano: International Union of Crystallography 2017
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC5349431/
https://ncbi.nlm.nih.gov/pubmed/28291754
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2059798317003400
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