Enrico O. Purisima

According to our database1, Enrico O. Purisima authored at least 17 papers between 1995 and 2018.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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Links

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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
Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challenge.
J. Comput. Aided Mol. Des., 2010

2009
Protein evolution on a human signaling network.
BMC Syst. Biol., 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
A fast pairwise evaluation of molecular surface area.
J. Comput. Chem., 2002

1998
Fast summation boundary element method for calculating solvation free energies of macromolecules.
J. Comput. Chem., 1998

Molecular surface generation using marching tetrahedra.
J. Comput. Chem., 1998

A new tetrahedral tesselation scheme for isosurface generation.
Comput. Graph., 1998

1995
A Samle Yet Accurate Boundary Element Method for Contituum Dielectric Calculations.
J. Comput. Chem., 1995


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