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Methods in Molecular Biology (Clifton, N.J.)
|
March 24, 2021
Biased Docking for Protein-Ligand Pose Prediction
Juan Pablo Arcon, Adrián G Turjanski, Marcelo A Martí, et al.
Nucleic Acids Research
|
May 30, 2024
CGeNArate: a sequence-dependent coarse-grained model of DNA for accurate atomistic MD simulations of kb-long duplexes
David Farré-Gil, Juan Pablo Arcon, Charles A Laughton, et al.
Journal of Chemical Information and Modeling
|
July 19, 2022
Solvent Sites Improve Docking Performance of Protein-Protein Complexes and Protein-Protein Interface-Targeted Drugs
Gonzalo F Mayol, Lucas A Defelipe, Juan Pablo Arcon, et al.
Nature Structural & Molecular Biology
|
December 5, 2022
Deciphering the mechanical code of the genome and epigenome
Aakash Basu, Dmitriy G Bobrovnikov, Basilio Cieza, et al.
Molecules (Basel, Switzerland)
|
December 15, 2018
Solvents to Fragments to Drugs: MD Applications in Drug Design
Lucas A Defelipe, Juan Pablo Arcon, Carlos P Modenutti, et al.
Journal of Chemical Information and Modeling
|
March 23, 2022
Specificity and Reactivity of <i>Mycobacterium tuberculosis</i> Serine/Threonine Kinases PknG and PknB
Osvaldo Burastero, Marisol Cabrera, Elias D Lopez, et al.
Journal of Chemical Information and Modeling
|
August 3, 2019
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening
Juan Pablo Arcon, Lucas A Defelipe, Elias D Lopez, et al.
Journal of Chemical Information and Modeling
|
March 21, 2017
Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions
Juan Pablo Arcon, Lucas A Defelipe, Carlos P Modenutti, et al.
Bioinformatics (Oxford, England)
|
July 23, 2015
WATCLUST: a tool for improving the design of drugs based on protein-water interactions
Elias D López, Juan Pablo Arcon, Diego F Gauto, et al.
Bioinformatics (Oxford, England)
|
March 3, 2019
AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions
Juan Pablo Arcon, Carlos P Modenutti, Demian Avendaño, et al.
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Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Methods in Molecular Biology (Clifton, N.J.)
|
March 24, 2021
Biased Docking for Protein-Ligand Pose Prediction
Juan Pablo Arcon, Adrián G Turjanski, Marcelo A Martí, et al.
Nucleic Acids Research
|
May 30, 2024
CGeNArate: a sequence-dependent coarse-grained model of DNA for accurate atomistic MD simulations of kb-long duplexes
David Farré-Gil, Juan Pablo Arcon, Charles A Laughton, et al.
Journal of Chemical Information and Modeling
|
July 19, 2022
Solvent Sites Improve Docking Performance of Protein-Protein Complexes and Protein-Protein Interface-Targeted Drugs
Gonzalo F Mayol, Lucas A Defelipe, Juan Pablo Arcon, et al.
Nature Structural & Molecular Biology
|
December 5, 2022
Deciphering the mechanical code of the genome and epigenome
Aakash Basu, Dmitriy G Bobrovnikov, Basilio Cieza, et al.
Molecules (Basel, Switzerland)
|
December 15, 2018
Solvents to Fragments to Drugs: MD Applications in Drug Design
Lucas A Defelipe, Juan Pablo Arcon, Carlos P Modenutti, et al.
Journal of Chemical Information and Modeling
|
March 23, 2022
Specificity and Reactivity of <i>Mycobacterium tuberculosis</i> Serine/Threonine Kinases PknG and PknB
Osvaldo Burastero, Marisol Cabrera, Elias D Lopez, et al.
Journal of Chemical Information and Modeling
|
August 3, 2019
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening
Juan Pablo Arcon, Lucas A Defelipe, Elias D Lopez, et al.
Journal of Chemical Information and Modeling
|
March 21, 2017
Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions
Juan Pablo Arcon, Lucas A Defelipe, Carlos P Modenutti, et al.
Bioinformatics (Oxford, England)
|
July 23, 2015
WATCLUST: a tool for improving the design of drugs based on protein-water interactions
Elias D López, Juan Pablo Arcon, Diego F Gauto, et al.
Bioinformatics (Oxford, England)
|
March 3, 2019
AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions
Juan Pablo Arcon, Carlos P Modenutti, Demian Avendaño, et al.
Page
of 2