Traian Sulea - researchr alias

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Viewing Publication 1 - 15 from 15

2025

a Prediction for pH-Responsive Protein DesignHervé Hogues, Wanlei Wei, Traian Sulea. jcisd, 65(3):1560-1569, 2025. [doi]

2023

a PredictionsWanlei Wei, Hervé Hogues, Traian Sulea. jcisd, 63(16):5169-5181, August 2023. [doi]

2018

Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE methodHervé Hogues, Traian Sulea, Francis Gaudreault, Christopher R. Corbeil, Enrico O. Purisima. jcamd, 32(1):143-150, 2018. [doi]

2016

Evaluation of the Wilma-SIE Virtual Screening Method in Community Structure-Activity Resource 2013 and 2014 Blind ChallengesHervé Hogues, Traian Sulea, Enrico O. Purisima. jcisd, 56(6):955-964, 2016. [doi]

Assessment of Solvated Interaction Energy Function for Ranking Antibody-Antigen Binding AffinitiesTraian Sulea, Victor Vivcharuk, Christopher R. Corbeil, Christophe Deprez, Enrico O. Purisima. jcisd, 56(7):1292-1303, 2016. [doi]

2014

Exhaustive docking and solvated interaction energy scoring: lessons learned from the SAMPL4 challengeHervé Hogues, Traian Sulea, Enrico O. Purisima. jcamd, 28(4):417-427, 2014. [doi]

2012

Exhaustive search and solvated interaction energy (SIE) for virtual screening and affinity predictionTraian Sulea, Hervé Hogues, Enrico O. Purisima. jcamd, 26(5):617-633, 2012. [doi]

Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE modelsTraian Sulea, Enrico O. Purisima. jcamd, 26(5):661-667, 2012. [doi]

2011

Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities. 2. Benchmark in the CSAR-2010 Scoring ExerciseTraian Sulea, Qizhi Cui, Enrico O. Purisima. jcisd, 51(9):2066-2081, 2011. [doi]

2010

Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challengeEnrico O. Purisima, Christopher R. Corbeil, Traian Sulea. jcamd, 24(4):373-383, 2010. [doi]

2007

Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter SpaceMarwen 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. jcisd, 47(1):122-133, 2007. [doi]

2006

Coupled atomic charge selectivity for optimal ligand-charge distributions at protein binding sitesSathesh Bhat, Traian Sulea, Enrico O. Purisima. jcc, 27(16):1899-1907, 2006. [doi]

2003

On the transferability of hydration-parametrized continuum electrostatics models to solvated binding calculationsKathryn N. Rankin, Traian Sulea, Enrico O. Purisima. jcc, 24(8):954-962, 2003. [doi]

1998

MTD-ADJ: A multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activitiesTraian Sulea, Ludovic Kurunczi, Tudor I. Oprea, Zeno Simon. jcamd, 12(2):133-146, 1998. [doi]

1997

A Different Method for Steric Field Evaluation in CoMFA Improves Model RobustnessTraian Sulea, Tudor I. Oprea, Sorel Muresan, Shek Ling Chan. jcisd, 37(6):1162-1170, 1997. [doi]

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