Marcelo A. Marti
Orcid: 0000-0002-7911-9340
According to our database1,
Marcelo A. Marti
authored at least 23 papers
between 2011 and 2024.
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Collaborative distances:
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Online presence:
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Bibliography
2024
2023
J. Chem. Inf. Model., May, 2023
2022
Solvent Sites Improve Docking Performance of Protein-Protein Complexes and Protein-Protein Interface-Targeted Drugs.
J. Chem. Inf. Model., 2022
Specificity and Reactivity of <i>Mycobacterium tuberculosis</i> Serine/Threonine Kinases PknG and PknB.
J. Chem. Inf. Model., 2022
2020
Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations.
J. Chem. Inf. Model., 2020
J. Cheminformatics, 2020
2019
J. Chem. Inf. Model., 2019
AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions.
Bioinform., 2019
2018
Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens.
Nucleic Acids Res., 2018
Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions.
J. Chem. Inf. Model., 2018
2017
J. Chem. Inf. Model., August, 2017
Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions.
J. Chem. Inf. Model., 2017
2016
PLoS Comput. Biol., 2016
Bioinform., 2016
2015
Protein Topology Determines Cysteine Oxidation Fate: The Case of Sulfenyl Amide Formation among Protein Families.
PLoS Comput. Biol., 2015
WATCLUST: a tool for improving the design of drugs based on protein-water interactions.
Bioinform., 2015
2014
Database J. Biol. Databases Curation, 2014
2012
pH-Dependent Conformational Changes in Proteins and Their Effect on Experimental pK<sub>a</sub>s: The Case of Nitrophorin 4.
PLoS Comput. Biol., 2012
2011
J. Chem. Inf. Model., 2011
An Integrated Computational Analysis of the Structure, Dynamics, and Ligand Binding Interactions of the Human Galectin Network.
J. Chem. Inf. Model., 2011
Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins.
J. Comput. Chem., 2011