Marcelo A. Marti

发表

Aromatic-Aromatic Interactions in Proteins: Beyond the Dimer

Esteban Lanzarotti, Rolf R. Biekofsky, Dario A. Estrin, 2011, J. Chem. Inf. Model..

Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens

Esteban Lanzarotti, Marcelo A. Marti, Adrian Gustavo Turjanski, 2017, Nucleic Acids Res..

Evolutionary and Functional Relationships in the Truncated Hemoglobin Family

Dario A. Estrin, Marcelo A. Marti, Arjen ten Have, 2016, PLoS Comput. Biol..

pH-Dependent Conformational Changes in Proteins and Their Effect on Experimental pKas: The Case of Nitrophorin 4

Adrian E. Roitberg, Dario A. Estrin, Marcelo A. Marti, 2012, PLoS Comput. Biol..

Protein Topology Determines Cysteine Oxidation Fate: The Case of Sulfenyl Amide Formation among Protein Families

Esteban Lanzarotti, Marcelo A. Marti, Adrian Gustavo Turjanski, 2015, PLoS Comput. Biol..

WATCLUST: a tool for improving the design of drugs based on protein-water interactions

Marcelo A. Marti, Adrian Gustavo Turjanski, Diego F. Gauto, 2015, Bioinform..

Aromatic clusters in protein–protein and protein–drug complexes

Esteban Lanzarotti, Marcelo A. Marti, Lucas A. Defelipe, 2020, Journal of Cheminformatics.

Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions

Xavier Barril, Marcelo A. Marti, Adrian Gustavo Turjanski, 2018, J. Chem. Inf. Model..

An Integrated Computational Analysis of the Structure, Dynamics, and Ligand Binding Interactions of the Human Galectin Network

Dario A. Estrin, Marcelo A. Marti, Diego F. Gauto, 2011, J. Chem. Inf. Model..

CG2AA: backmapping protein coarse-grained structures

Marcelo A. Marti, Leandro E. Lombardi, Luciana Capece, 2016, Bioinform..

Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins

Dario A. Estrin, Marcelo A. Marti, Flavio Forti, 2011, J. Comput. Chem..

Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions

Xavier Barril, Marcelo A. Marti, Adrian Gustavo Turjanski, 2017, J. Chem. Inf. Model..

AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions

Stefano Forli, Marcelo A. Marti, Adrian Gustavo Turjanski, 2019, Bioinform..

A quantitative model for oxygen uptake and release in a family of hemeproteins

Mariela Sued, Dario A. Estrin, Marcelo A. Marti, 2016, Bioinform..

TuberQ: a Mycobacterium tuberculosis protein druggability database

F. Javier Luque, Xavier Barril, F. J. Luque, 2014, Database J. Biol. Databases Curation.