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ORCIDEnrico O. Purisima
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2010 – 2019
- 2018
[j17]Hervé Hogues, Traian Sulea, Francis Gaudreault, Christopher R. Corbeil
, Enrico O. Purisima:
Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method. J. Comput. Aided Mol. Des. 32(1): 143-150 (2018)- 2016
- [j16]Hervé Hogues, Traian Sulea, Enrico O. Purisima:
Evaluation of the Wilma-SIE Virtual Screening Method in Community Structure-Activity Resource 2013 and 2014 Blind Challenges. J. Chem. Inf. Model. 56(6): 955-964 (2016) - [j15]Traian Sulea, Victor Vivcharuk, Christopher R. Corbeil, Christophe Deprez, Enrico O. Purisima:
Assessment of Solvated Interaction Energy Function for Ranking Antibody-Antigen Binding Affinities. J. Chem. Inf. Model. 56(7): 1292-1303 (2016) - 2014
- [j14]Hervé Hogues, Traian Sulea, Enrico O. Purisima:
Exhaustive docking and solvated interaction energy scoring: lessons learned from the SAMPL4 challenge. J. Comput. Aided Mol. Des. 28(4): 417-427 (2014) - 2012
- [j13]Traian Sulea, Hervé Hogues, Enrico O. Purisima:
Exhaustive search and solvated interaction energy (SIE) for virtual screening and affinity prediction. J. Comput. Aided Mol. Des. 26(5): 617-633 (2012) - [j12]Traian Sulea, Enrico O. Purisima:
Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE models. J. Comput. Aided Mol. Des. 26(5): 661-667 (2012) - 2011
- [j11]Traian Sulea, Qizhi Cui, Enrico O. Purisima:
Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities. 2. Benchmark in the CSAR-2010 Scoring Exercise. J. Chem. Inf. Model. 51(9): 2066-2081 (2011) - 2010
- [j10]Enrico O. Purisima, Christopher R. Corbeil, Traian Sulea:
Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challenge. J. Comput. Aided Mol. Des. 24(4): 373-383 (2010)
2000 – 2009
- 2009
- [j9]Qinghua Cui, Enrico O. Purisima, Edwin Wang:
Protein evolution on a human signaling network. BMC Syst. Biol. 3: 21 (2009) - 2007
- [j8]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:
Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter Space. J. Chem. Inf. Model. 47(1): 122-133 (2007) - 2006
- [j7]Sathesh Bhat, Traian Sulea, Enrico O. Purisima:
Coupled atomic charge selectivity for optimal ligand-charge distributions at protein binding sites. J. Comput. Chem. 27(16): 1899-1907 (2006) - 2003
- [j6]Kathryn N. Rankin, Traian Sulea, Enrico O. Purisima:
On the transferability of hydration-parametrized continuum electrostatics models to solvated binding calculations. J. Comput. Chem. 24(8): 954-962 (2003) - 2002
- [j5]Vladislav Vasilyev, Enrico O. Purisima:
A fast pairwise evaluation of molecular surface area. J. Comput. Chem. 23(7): 737-745 (2002)
1990 – 1999
- 1998
- [j4]Shek Ling Chan, Enrico O. Purisima:
A new tetrahedral tesselation scheme for isosurface generation. Comput. Graph. 22(1): 83-90 (1998) - [j3]Shek Ling Chan, Enrico O. Purisima:
Molecular surface generation using marching tetrahedra. J. Comput. Chem. 19(11): 1268-1277 (1998) - [j2]Enrico O. Purisima:
Fast summation boundary element method for calculating solvation free energies of macromolecules. J. Comput. Chem. 19(13): 1494-1504 (1998) - 1995
- [j1]Enrico O. Purisima, Shahul H. Nilar:
A Samle Yet Accurate Boundary Element Method for Contituum Dielectric Calculations. J. Comput. Chem. 16(6): 681-689 (1995)
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