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ORCIDAdrian Gustavo Turjanski
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Journal Articles
- 2022
[j17]Osvaldo Burastero
, Marisol Cabrera, Elias D. López, Lucas A. Defelipe, Juan Pablo Arcon, Rosario Durán, Marcelo A. Marti, Adrian Gustavo Turjanski:
Specificity and Reactivity of Mycobacterium tuberculosis Serine/Threonine Kinases PknG and PknB. J. Chem. Inf. Model. 62(7): 1723-1733 (2022)- [j16]Gonzalo F. Mayol, Lucas A. Defelipe, Juan Pablo Arcon, Adrian Gustavo Turjanski, Marcelo A. Marti:
Solvent Sites Improve Docking Performance of Protein-Protein Complexes and Protein-Protein Interface-Targeted Drugs. J. Chem. Inf. Model. 62(15): 3577-3588 (2022) - 2020
- [j15]Esteban Lanzarotti, Lucas A. Defelipe, Marcelo A. Marti, Adrian Gustavo Turjanski:
Aromatic clusters in protein-protein and protein-drug complexes. J. Cheminformatics 12(1): 30 (2020) - [j14]Elias D. López, Osvaldo Burastero, Juan Pablo Arcon, Lucas A. Defelipe, Natalie G. Ahn, Marcelo A. Marti, Adrian Gustavo Turjanski:
Kinase Activation by Small Conformational Changes. J. Chem. Inf. Model. 60(2): 821-832 (2020) - [j13]Federico A. Olivieri, Osvaldo Burastero, Salvador I. Drusin, Lucas A. Defelipe, Diana E. Wetzler, Adrian Gustavo Turjanski, Marcelo A. Marti:
Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations. J. Chem. Inf. Model. 60(2): 833-842 (2020) - 2019
- [j12]Juan Pablo Arcon, Carlos P. Modenutti, Demian Avendaño, Elias D. López, Lucas A. Defelipe, Francesca Alessandra Ambrosio, Adrian Gustavo Turjanski, Stefano Forli, Marcelo A. Marti:
AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions. Bioinform. 35(19): 3836-3838 (2019) - [j11]Juan Pablo Arcon, Lucas A. Defelipe, Elias D. López, Osvaldo Burastero, Carlos P. Modenutti, Xavier Barril, Marcelo A. Marti, Adrian Gustavo Turjanski:
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening. J. Chem. Inf. Model. 59(8): 3572-3583 (2019) - 2018
- [j10]Juan Pablo Arcon, Lucas A. Defelipe, Carlos P. Modenutti, Elias D. López, Daniel Alvarez-Garcia, Xavier Barril, Adrian Gustavo Turjanski, Marcelo A. Marti:
Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions. J. Chem. Inf. Model. 58(6): 1312 (2018) - [j9]Ezequiel J. Sosa, Germán Burguener, Esteban Lanzarotti, Lucas A. Defelipe, Leandro G. Radusky, Agustín M. Pardo, Marcelo A. Marti, Adrian Gustavo Turjanski, Darío Fernández Do Porto:
Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens. Nucleic Acids Res. 46(Database-Issue): D413-D418 (2018) - 2017
- [j8]Juan Pablo Arcon, Lucas A. Defelipe, Carlos P. Modenutti, Elias D. López, Daniel Alvarez-Garcia, Xavier Barril, Adrian Gustavo Turjanski, Marcelo A. Marti:
Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions. J. Chem. Inf. Model. 57(4): 846-863 (2017) - [j7]Leandro G. Radusky, Sergio Ruiz-Carmona, Carlos P. Modenutti, Xavier Barril, Adrian Gustavo Turjanski, Marcelo A. Marti:
LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening. J. Chem. Inf. Model. 57(8): 1741-1746 (2017) - 2015
- [j6]Elias D. López, Juan Pablo Arcon, Diego F. Gauto, Ariel A. Petruk, Carlos P. Modenutti, Victoria G. Dumas, Marcelo A. Marti, Adrian Gustavo Turjanski:
WATCLUST: a tool for improving the design of drugs based on protein-water interactions. Bioinform. 31(22): 3697-3699 (2015) - [j5]Lucas A. Defelipe, Esteban Lanzarotti, Diego F. Gauto, Marcelo A. Marti, Adrian Gustavo Turjanski:
Protein Topology Determines Cysteine Oxidation Fate: The Case of Sulfenyl Amide Formation among Protein Families. PLoS Comput. Biol. 11(3) (2015) - 2014
- [j4]Leandro G. Radusky, Lucas A. Defelipe, Esteban Lanzarotti, F. Javier Luque, Xavier Barril, Marcelo A. Marti, Adrian Gustavo Turjanski:
TuberQ: a Mycobacterium tuberculosis protein druggability database. Database J. Biol. Databases Curation 2014 (2014) - 2012
- [j3]Michael Jenik, R. Gonzalo Parra, Leandro G. Radusky, Adrian Gustavo Turjanski, Peter G. Wolynes, Diego U. Ferreiro:
Protein frustratometer: a tool to localize energetic frustration in protein molecules. Nucleic Acids Res. 40(Web-Server-Issue): 348-351 (2012) - 2011
- [j2]Esteban Lanzarotti, Rolf R. Biekofsky, Dario A. Estrin, Marcelo A. Marti, Adrian Gustavo Turjanski:
Aromatic-Aromatic Interactions in Proteins: Beyond the Dimer. J. Chem. Inf. Model. 51(7): 1623-1633 (2011) - 2008
- [j1]Adrian Gustavo Turjanski, J. Silvio Gutkind, Robert B. Best, Gerhard Hummer:
Binding-Induced Folding of a Natively Unstructured Transcription Factor. PLoS Comput. Biol. 4(4) (2008)
Coauthor Index
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