Computational Prediction of Alanine Scanning and Ligand Binding Energetics in G-Protein Coupled Receptors

por Boukharta, Lars, Gutiérrez-de-Terán, Hugo, Åqvist, Johan
Publicado 2014

Structural and Energetic Effects of A(2A) Adenosine Receptor Mutations on Agonist and Antagonist Binding

por Keränen, Henrik, Gutiérrez-de-Terán, Hugo, Åqvist, Johan
Publicado 2014

Editorial: Physiological, Pathological Roles and Pharmacology of Insulin Regulated Aminopeptidase

por Chai, Siew Yeen, Gutiérrez-de-Terán, Hugo, Stratikos, Efstratios
Publicado 2021

QligFEP: an automated workflow for small molecule free energy calculations in Q

por Jespers, Willem, Esguerra, Mauricio, Åqvist, Johan, Gutiérrez-de-Terán, Hugo
Publicado 2019

Structural Basis of Inhibition of Human Insulin-Regulated Aminopeptidase (IRAP) by Benzopyran-Based Inhibitors

por Vanga, Sudarsana Reddy, Åqvist, Johan, Hallberg, Anders, Gutiérrez-de-Terán, Hugo
Publicado 2021

GPCR-ModSim: A comprehensive web based solution for modeling G-protein coupled receptors

por Esguerra, Mauricio, Siretskiy, Alexey, Bello, Xabier, Sallander, Jessica, Gutiérrez-de-Terán, Hugo
Publicado 2016

Free-Energy Calculations for Bioisosteric Modifications of A(3) Adenosine Receptor Antagonists

por Jandova, Zuzana, Jespers, Willem, Sotelo, Eddy, Gutiérrez-de-Terán, Hugo, Oostenbrink, Chris
Publicado 2019

Evolution of Angiotensin Peptides and Peptidomimetics as Angiotensin II Receptor Type 2 (AT2) Receptor Agonists

por Vasile, Silvana, Hallberg, Anders, Sallander, Jessica, Hallberg, Mathias, Åqvist, Johan, Gutiérrez-de-Terán, Hugo
Publicado 2020

Structure-Based Design of Potent and Selective Ligands at the Four Adenosine Receptors

por Jespers, Willem, Oliveira, Ana, Prieto-Díaz, Rubén, Majellaro, María, Åqvist, Johan, Sotelo, Eddy, Gutiérrez-de-Terán, Hugo
Publicado 2017

Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase from Salmonella enterica

por Stern, Ana Laura, Van der Verren, Sander Egbert, Kanchugal P, Sandesh, Näsvall, Joakim, Gutiérrez-de-Terán, Hugo, Selmer, Maria
Publicado 2018

Inhibition of translation termination by small molecules targeting ribosomal release factors

por Ge, Xueliang, Oliveira, Ana, Hjort, Karin, Bergfors, Terese, Gutiérrez-de-Terán, Hugo, Andersson, Dan I., Sanyal, Suparna, Åqvist, Johan
Publicado 2019

Author Correction: Inhibition of translation termination by small molecules targeting ribosomal release factors

por Ge, Xueliang, Oliveira, Ana, Hjort, Karin, Bergfors, Terese, Gutiérrez-de-Terán, Hugo, Andersson, Dan I., Sanyal, Suparna, Åqvist, Johan
Publicado 2020

Deciphering conformational selectivity in the A(2A) adenosine G protein-coupled receptor by free energy simulations

por Jespers, Willem, Heitman, Laura H., IJzerman, Adriaan P., Sotelo, Eddy, van Westen, Gerard J. P., Åqvist, Johan, Gutiérrez-de-Terán, Hugo
Publicado 2021

Structural Basis of Inhibition of Human Insulin-Regulated Aminopeptidase (IRAP) by Aryl Sulfonamides

por Vanga, Sudarsana Reddy, Sävmarker, Jonas, Ng, Leelee, Larhed, Mats, Hallberg, Mathias, Åqvist, Johan, Hallberg, Anders, Chai, Siew Yeen, Gutiérrez-de-Terán, Hugo
Publicado 2018

A Series of Analogues to the AT(2)R Prototype Antagonist C38 Allow Fine Tuning of the Previously Reported Antagonist Binding Mode

por Isaksson, Rebecka, Lindman, Jens, Wannberg, Johan, Sallander, Jessica, Backlund, Maria, Baraldi, Dhaniel, Widdop, Robert, Hallberg, Mathias, Åqvist, Johan, Gutierrez de Teran, Hugo, Gising, Johan, Larhed, Mats
Publicado 2019

Synthesis, Evaluation and Proposed Binding Pose of Substituted Spiro‐Oxindole Dihydroquinazolinones as IRAP Inhibitors

por Engen, Karin, Vanga, Sudarsana Reddy, Lundbäck, Thomas, Agalo, Faith, Konda, Vivek, Jensen, Annika Jenmalm, Åqvist, Johan, Gutiérrez‐de‐Terán, Hugo, Hallberg, Mathias, Larhed, Mats, Rosenström, Ulrika
Publicado 2020

Identification of V6.51L as a selectivity hotspot in stereoselective A(2B) adenosine receptor antagonist recognition

por Wang, Xuesong, Jespers, Willem, Prieto-Díaz, Rubén, Majellaro, Maria, IJzerman, Adriaan P., van Westen, Gerard J. P., Sotelo, Eddy, Heitman, Laura H., Gutiérrez-de-Terán, Hugo
Publicado 2021

The GPR139 reference agonists 1a and 7c, and tryptophan and phenylalanine share a common binding site

por Nøhr, Anne Cathrine, Jespers, Willem, Shehata, Mohamed A., Floryan, Leonard, Isberg, Vignir, Andersen, Kirsten Bayer, Åqvist, Johan, Gutiérrez-de-Terán, Hugo, Bräuner-Osborne, Hans, Gloriam, David E.
Publicado 2017

Design, synthesis, HER2 inhibition and anticancer evaluation of new substituted 1,5-dihydro-4,1-benzoxazepines

por Cruz-López, Olga, Ner, Matilde, Nerín-Fonz, Francho, Jiménez-Martínez, Yaiza, Araripe, David, Marchal, Juan A., Boulaiz, Houria, Gutiérrez-de-Terán, Hugo, Campos, Joaquín M., Conejo-García, Ana
Publicado 2021

Potent and Subtype-Selective Dopamine D(2) Receptor Biased Partial Agonists Discovered via an Ugi-Based Approach

por Mallo-Abreu, Ana, Reyes-Resina, Irene, Azuaje, Jhonny, Franco, Rafael, García-Rey, Aitor, Majellaro, Maria, Miranda-Pastoriza, Darío, García-Mera, Xerardo, Jespers, Willem, Gutiérrez-de-Terán, Hugo, Navarro, Gemma, Sotelo, Eddy
Publicado 2021