Hierarchical Graph Representation of Pharmacophore Models

For the investigation of protein-ligand interaction patterns, the current accessibility of a wide variety of sampling methods allows quick access to large-scale data. The main example is the intensive use of molecular dynamics simulations applied to crystallographic structures which provide dynamic...

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Bibliographic Details
Published in:Front Mol Biosci
Main Authors: Arthur, Garon, Oliver, Wieder, Klaus, Bareis, Thomas, Seidel, Gökhan, Ibis, Sharon, Bryant, Isabelle, Theret, Pierre, Ducrot, Thierry, Langer
Format: Artigo
Language:Inglês
Published: Frontiers Media S.A. 2020
Subjects:
Molecular Biosciences
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7793842/
https://ncbi.nlm.nih.gov/pubmed/33425991
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fmolb.2020.599059
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