Jorge R Espinosa

32PUBLICATIONS
78CO-AUTHORS
Data structures and algorithmsMolecular targetsBioinformatic methods developmentSequence analysisExperimental methods in fluid flow, heat and mass transfer
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Publications (32)

|Jun 24, 2026
hexABC seeking the physical code of DNA.

|May 26, 2026
Cooperative molecular interaction networks govern PARP1 inhibitor selectivity and binding affinity.

|Apr 18, 2026
Comparative Assessment of Free Energy Computational Methods for Revealing the Interactions Driving PARP1 Selective Inhibition.

|Mar 30, 2026
Determination of Nucleotide-Nucleotide and Nucleotide-Amino Acid Binding Interactions from All-Atom Potential-of-Mean-Force Calculations.

Alejandro Feito, Eduardo Pedraza, Estefania Cuesta

|Mar 09, 2026
Water-ice III interfacial free energy: A mold integration study using the TIP4P/Ice model.

L F Sedano, J R Espinosa, A R Tejedor

|Mar 03, 2026
Understanding How Synthetic Impurities Affect Glyphosate Solubility and Crystal Growth Using Free Energy Calculations and Molecular Dynamics Simulations.

Alejandro Castro, Ignacio Sanchez-Burgos, Nuria H Espejo

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Frequent Collaborators

14 joint publications

Rosana Collepardo-Guevara

13 joint publications

Andres R Tejedor

13 joint publications

Ignacio Sanchez-Burgos

10 joint publications

Eduardo Sanz