Traian Sulea

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Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter Space

Imran Siddiqi, Marwen Naïm, Sathesh Bhat, 2007, J. Chem. Inf. Model..

Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method

Christopher R. Corbeil, Traian Sulea, Enrico O. Purisima, 2017, Journal of Computer-Aided Molecular Design.

On the transferability of hydration‐parametrized continuum electrostatics models to solvated binding calculations

Kathryn N. Rankin, Traian Sulea, Enrico O. Purisima, 2003, J. Comput. Chem..

Exhaustive search and solvated interaction energy (SIE) for virtual screening and affinity prediction

Traian Sulea, Enrico O. Purisima, Hervé Hogues, 2012, Journal of Computer-Aided Molecular Design.

MP1-p14 Scaffolding complex

Traian Sulea, Enrico O. Purisima, Miroslaw Cygler, 2008 .

Coupled atomic charge selectivity for optimal ligand‐charge distributions at protein binding sites

Sathesh Bhat, Traian Sulea, Enrico O. Purisima, 2006, J. Comput. Chem..

Assessment of Solvated Interaction Energy Function for Ranking Antibody-Antigen Binding Affinities

Christopher R. Corbeil, Traian Sulea, Enrico O. Purisima, 2016, J. Chem. Inf. Model..

Exhaustive docking and solvated interaction energy scoring: lessons learned from the SAMPL4 challenge

Traian Sulea, Enrico O. Purisima, Hervé Hogues, 2014, Journal of Computer-Aided Molecular Design.

Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities. 2. Benchmark in the CSAR-2010 Scoring Exercise

Traian Sulea, Enrico O. Purisima, Qizhi Cui, 2011, J. Chem. Inf. Model..

A Different Method for Steric Field Evaluation in CoMFA Improves Model Robustness

Tudor I. Oprea, Sorel Muresan, Traian Sulea, 1997, J. Chem. Inf. Comput. Sci..

Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challenge

Christopher R. Corbeil, Traian Sulea, Enrico O. Purisima, 2010, J. Comput. Aided Mol. Des..

Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE models

Traian Sulea, Enrico O. Purisima, E. Purisima, 2012, Journal of Computer-Aided Molecular Design.

MTD-ADJ: A multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities

Tudor I. Oprea, Traian Sulea, Zeno Simon, 1998, J. Comput. Aided Mol. Des..

ProPOSE: Direct Exhaustive Protein-Protein Docking with Side Chain Flexibility.

Christopher R. Corbeil, Traian Sulea, Hervé Hogues, 2018, Journal of chemical theory and computation.

Evaluation of the Wilma-SIE Virtual Screening Method in Community Structure-Activity Resource 2013 and 2014 Blind Challenges

Traian Sulea, Enrico O. Purisima, Hervé Hogues, 2016, J. Chem. Inf. Model..

Redesigning an antibody H3 loop by virtual screening of a small library of human germline-derived sequences

Christopher R. Corbeil, Traian Sulea, Enrico O. Purisima, 2021, Scientific Reports.

High incidence of ubiquitin‐like domains in human ubiquitin‐specific proteases

Traian Sulea, Robert Ménard, R. Ménard, 2007, Proteins.

Contribution of active site residues to substrate hydrolysis by USP2: insights into catalysis by ubiquitin specific proteases.

Traian Sulea, Robert Ménard, Qizhi Cui, 2011, Biochemistry.

Restoring charge asymmetry in continuum electrostatics calculations of hydration free energies.

Traian Sulea, Enrico O Purisima, 2009, The journal of physical chemistry. B.

Specificity determinants of human cathepsin s revealed by crystal structures of complexes.

Traian Sulea, Miroslaw Cygler, Robert Ménard, 2003, Biochemistry.

Solvation models: theory and validation.

Traian Sulea, Enrico O Purisima, E. Purisima, 2014, Current pharmaceutical design.

Rapid Prediction of Solvation Free Energy. 1. An Extensive Test of Linear Interaction Energy (LIE).

Traian Sulea, Christopher R Corbeil, Enrico O Purisima, 2010, Journal of chemical theory and computation.

Van der Waals Intersection Envelope Volumes as a Possible Basis for Steric Interaction in CoMFA

Sorel Muresan, Traian Sulea, Zeno Simon, 1996 .

The Structure of Chondroitin B Lyase Complexed with Glycosaminoglycan Oligosaccharides Unravels a Calcium-dependent Catalytic Machinery*

Robert J Linhardt, Traian Sulea, Rahul Raman, 2004, Journal of Biological Chemistry.

Structural and Functional Analysis of Campylobacter jejuni PseG

Allan Matte, Traian Sulea, Miroslaw Cygler, 2009, The Journal of Biological Chemistry.

Dioxin-Type Activity for Polyhalogenated Arylic Derivatives. A QSAR Model Based on MTD-Method

Traian Sulea, Zeno Simon, Ludovic Kurunczi, 1995 .

Catalytic Mechanism of Heparinase II Investigated by Site-directed Mutagenesis and the Crystal Structure with Its Substrate*

Robert J Linhardt, Traian Sulea, Miroslaw Cygler, 2010, The Journal of Biological Chemistry.

Conformational analysis and experimental dipole moments: a study of furan derivatives

Traian Sulea, Ludovic Kurunczi, Tudor-Ionel Oprea, 1994 .

Rapid Prediction of Solvation Free Energy. 2. The First-Shell Hydration (FiSH) Continuum Model.

Traian Sulea, Christopher R Corbeil, Enrico O Purisima, 2010, Journal of chemical theory and computation.

Multiconformational Minimal Steric Difference. Structure‐Acetylcholinesterase Hydrolysis Rates Relations for Acetic Acid Esters

Tudor I. Oprea, Traian Sulea, Zeno Simon, 1993 .

Desolvation free energy field derived from boundary element continuum dielectric calculations

Traian Sulea, Enrico O. Purisima, 1999 .

Profiling charge complementarity and selectivity for binding at the protein surface.

Traian Sulea, Enrico O Purisima, E. Purisima, 2003, Biophysical journal.

Prediction of SAMPL-1 hydration free energies using a continuum electrostatics-dispersion model.

Sheldon Dennis, Traian Sulea, Enrico O Purisima, 2009, The journal of physical chemistry. B.

Comparison of the Minimal Steric Difference (MTD) and Comparative Molecular Field Analysis (CoMFA) Methods for Analysis of Binding of Steroids to Carrier Proteins

Tudor I. Oprea, Traian Sulea, Zeno Simon, 1993 .

The solvated interaction energy method for scoring binding affinities.

Traian Sulea, Enrico O. Purisima, E. Purisima, 2012, Methods in molecular biology.

Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex.

Marwen Naïm, Traian Sulea, Miroslaw Cygler, 2008, Journal of molecular biology.