Hugo Gutiérrez-de-Terán

Orcid: 0000-0003-0459-3491

According to our database1, Hugo Gutiérrez-de-Terán authored at least 7 papers between 2011 and 2021.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Dataset
Other 

Links

Online presence:

On csauthors.net:

Bibliography

2021
Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations.
PLoS Comput. Biol., 2021

2019
QligFEP: an automated workflow for small molecule free energy calculations in Q.
J. Cheminformatics, 2019

2016
GPCR-ModSim: A comprehensive web based solution for modeling G-protein coupled receptors.
Nucleic Acids Res., 2016

2014
Computational Prediction of Alanine Scanning and Ligand Binding Energetics in G-Protein Coupled Receptors.
PLoS Comput. Biol., 2014

Toward an Optimal Docking and Free Energy Calculation Scheme in Ligand Design with Application to COX-1 Inhibitors.
J. Chem. Inf. Model., 2014

2012
Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A1, A2A, A2B, and A3 receptor antagonists.
J. Comput. Aided Mol. Des., 2012

2011
Computational Prediction of Structure-Activity Relationships for the Binding of Aminocyclitols to β-Glucocerebrosidase.
J. Chem. Inf. Model., 2011


  Loading...