Enrico O. Purisima
According to our database1,
Enrico O. Purisima
authored at least 17 papers
between 1995 and 2018.
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Bibliography
2018
Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method.
J. Comput. Aided Mol. Des., 2018
2016
Assessment of Solvated Interaction Energy Function for Ranking Antibody-Antigen Binding Affinities.
J. Chem. Inf. Model., 2016
Evaluation of the Wilma-SIE Virtual Screening Method in Community Structure-Activity Resource 2013 and 2014 Blind Challenges.
J. Chem. Inf. Model., 2016
2014
Exhaustive docking and solvated interaction energy scoring: lessons learned from the SAMPL4 challenge.
J. Comput. Aided Mol. Des., 2014
2012
Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE models.
J. Comput. Aided Mol. Des., 2012
Exhaustive search and solvated interaction energy (SIE) for virtual screening and affinity prediction.
J. Comput. Aided Mol. Des., 2012
2011
Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities. 2. Benchmark in the CSAR-2010 Scoring Exercise.
J. Chem. Inf. Model., 2011
2010
J. Comput. Aided Mol. Des., 2010
2009
2007
Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter Space.
J. Chem. Inf. Model., 2007
2006
Coupled atomic charge selectivity for optimal ligand-charge distributions at protein binding sites.
J. Comput. Chem., 2006
2003
On the transferability of hydration-parametrized continuum electrostatics models to solvated binding calculations.
J. Comput. Chem., 2003
2002
1998
Fast summation boundary element method for calculating solvation free energies of macromolecules.
J. Comput. Chem., 1998
1995
J. Comput. Chem., 1995