A Samle Yet Accurate Boundary Element Method for Contituum Dielectric Calculations. - Enrico O. Purisima; Shahul H. Nilar (J. Comput. Chem., 1995)

A new tetrahedral tesselation scheme for isosurface generation. - Shek Ling Chan; Enrico O. Purisima (Comput. Graph., 1998)

Molecular surface generation using marching tetrahedra. - Shek Ling Chan; Enrico O. Purisima (J. Comput. Chem., 1998)

Fast summation boundary element method for calculating solvation free energies of macromolecules. - Enrico O. Purisima (J. Comput. Chem., 1998)

A fast pairwise evaluation of molecular surface area. - Vladislav Vasilyev; Enrico O. Purisima (J. Comput. Chem., 2002)

On the transferability of hydration-parametrized continuum electrostatics models to solvated binding calculations. - Kathryn N. Rankin; Traian Sulea; Enrico O. Purisima (J. Comput. Chem., 2003)

Coupled atomic charge selectivity for optimal ligand-charge distributions at protein binding sites. - Sathesh Bhat; Traian Sulea; Enrico O. Purisima (J. Comput. Chem., 2006)

Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter Space. - Marwen Naïm; Sathesh Bhat; Kathryn N. Rankin; Sheldon Dennis; Shafinaz F. Chowdhury; Imran Siddiqi; Piotr Drabik; Traian Sulea; Christopher I. Bayly; Araz Jakalian; Enrico O. Purisima (J. Chem. Inf. Model., 2007)

Protein evolution on a human signaling network. - Qinghua Cui; Enrico O. Purisima; Edwin Wang (BMC Syst. Biol., 2009)

Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challenge. - Enrico O. Purisima; Christopher R. Corbeil; Traian Sulea (J. Comput. Aided Mol. Des., 2010)

Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities. 2. Benchmark in the CSAR-2010 Scoring Exercise. - Traian Sulea; Qizhi Cui; Enrico O. Purisima (J. Chem. Inf. Model., 2011)

Exhaustive search and solvated interaction energy (SIE) for virtual screening and affinity prediction. - Traian Sulea; Hervé Hogues; Enrico O. Purisima (J. Comput. Aided Mol. Des., 2012)

Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE models. - Traian Sulea; Enrico O. Purisima (J. Comput. Aided Mol. Des., 2012)

Exhaustive docking and solvated interaction energy scoring: lessons learned from the SAMPL4 challenge. - Hervé Hogues; Traian Sulea; Enrico O. Purisima (J. Comput. Aided Mol. Des., 2014)

Evaluation of the Wilma-SIE Virtual Screening Method in Community Structure-Activity Resource 2013 and 2014 Blind Challenges. - Hervé Hogues; Traian Sulea; Enrico O. Purisima (J. Chem. Inf. Model., 2016)

Assessment of Solvated Interaction Energy Function for Ranking Antibody-Antigen Binding Affinities. - Traian Sulea; Victor Vivcharuk; Christopher R. Corbeil; Christophe Deprez; Enrico O. Purisima (J. Chem. Inf. Model., 2016)

Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method. - Hervé Hogues; Traian Sulea; Francis Gaudreault; Christopher R. Corbeil; Enrico O. Purisima (J. Comput. Aided Mol. Des., 2018)