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Journal Articles
- 2023
[j14]Wanlei Wei
, Hervé Hogues, Traian Sulea:
Comparative Performance of High-Throughput Methods for Protein pKa Predictions. J. Chem. Inf. Model. 63(16): 5169-5181 (2023)- 2018
- [j13]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
- [j12]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) - [j11]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
- [j10]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
- [j9]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) - [j8]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
- [j7]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
- [j6]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) - 2007
- [j5]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
- [j4]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
- [j3]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) - 1998
- [j2]Traian Sulea, Ludovic Kurunczi, Tudor I. Oprea, Zeno Simon:
MTD-ADJ: A multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities. J. Comput. Aided Mol. Des. 12(2): 133-146 (1998) - 1997
- [j1]Traian Sulea, Tudor I. Oprea, Sorel Muresan, Shek Ling Chan:
A Different Method for Steric Field Evaluation in CoMFA Improves Model Robustness. J. Chem. Inf. Comput. Sci. 37(6): 1162-1170 (1997)
Coauthor Index
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