Traian Sulea

Publication Activity (10 Years)

Years Active: 1997-2023
Publications (10 Years): 4

Top Topics

Energy Minimization

Community Structure

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Wanlei Wei, Hervé Hogues, Traian Sulea
Predictions. J. Chem. Inf. Model. 63 (16) (2023)
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) (2018)
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) (2016)
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) (2016)
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) (2014)
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) (2012)
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) (2012)
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) (2011)
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) (2010)
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) (2007)
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) (2006)
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) (2003)
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) (1998)
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) (1997)