Principal investigator

• Guillaume Lamoureux (IPA: [gijom lamuʁø])
  Associate Professor
  
  Postdoc: University of Pennsylvania (with Michael L. Klein)
  PhD: Université de Montréal (with Benoît Roux)
  
  Address:
  Department of Chemistry and Biochemistry
  Concordia University
  7141 Sherbrooke Street West
  Montreal, Quebec, H4B 1R6
  Canada
  
  email: guillaume.lamoureux (a) concordia.ca
  phone: (+1) 514-848-2424 ext 5314
  fax: (+1) 514-848-2868

Group members

• Georgy Derevyanko
  Postdoctoral researcher (November 2016 – )
  PhD: Université Joseph Fourier
  Research interests: Structural molecular biology, Protein-protein interactions, Machine learning
  Links: GitHub
  
• Tuğba Nur Öztürk
  PhD student (August 2014 – )
  MSc: Koç University
  Title of project: Molecular modeling of calcium-sensing and calcium-transport proteins
  
• Bhupinder Singh Metneja
  PhD student (May 2017 – )
  MSc: Hamburg University of Technology
  Title of project: Computational exploration of reaction pathways in enzymes
  
• Navjote Kooner
  MSc student (September 2017 – )
  Title of project: Fragment-based identification of functional hot spots in enzymes
  
• Aria Gheeraert
  Undergraduate student (February 2018 – July 2018) (Research Internship, École normale supérieure de Lyon)
  Title of project: Application of deep learning techniques to the modeling of biomolecular interactions
  

Past group members

• Félix Pigeon
  Graduate Research Assistant (January 2016 – December 2017)
  Title of project: Application of machine learning techniques to the modeling of biomolecular interactions
  
• Justin Whatley
  Undergraduate student (Summer 2017) (PROTEO Scholarship)
  Title of project: Application of deep learning techniques to the modeling of biomolecular interactions
  
• Amanda DiNitto
  SCOL 290 student (Winter 2017) (Science College)
  Title of project: Prediction of protein contacts with artificial neural networks
  
• Bharat Kumar Sharma
  Postdoctoral researcher (October 2016 – February 2017)
  PhD: Concordia University
  Research interests: Computational enzymology, Computational chemistry, Molecular modeling
  Links: email
  
• Gabrielle Wilkinson
  SCOL 290 student (Winter 2016) (Science College)
  Title of project: Structural classification of compact protein fragments
  
• Bharat Kumar Sharma
  PhD student (May 2012 – August 2016)
  MSc: University of Ulsan
  Title of project: Development of semiempirical models for metalloproteins
  
• Christopher Kreklewetz
  Graduate research assistant (September 2015 – May 2016)
  Title of project: Fragment affinity maps for drug discovery and molecular recognition
  
• Prit-Kamal Sandhu
  Graduate research assistant (May 2015 – August 2015)
  MSc: Concordia University
  Title of project: New methods for computational exploration of reaction pathways in metalloenzymes
  
• Félix Pigeon
  Undergraduate student (Summer 2015) (PROTEO Scholarship)
  Title of project: Modeling of ion permeation and selectivity of ORAI calcium channel
  
• Esam Orabi
  PhD student (May 2011 – April 2015)
  MSc: Concordia University
  Title of project: Molecular modeling of ions in biological systems
  
• Anirban Bhattacharjee
  Academic visitor (February 2014 – January 2015)
  Dr. sc. nat.: University of Innsbruck
  
• Lavinia Carabet
  MSc student (January 2012 – September 2014)
  MSc: Johns Hopkins University
  Title of project: Theoretical study of the nitric oxide dioxygenase reaction of the truncated hemoglobin N of Mycobacterium tuberculosis
  
• Christopher Kreklewetz
  CHEM 450 student (Summer 2014)
  Title of project: Generation of pharmacophores from fragment affinity maps
  
• Angelia Bassenden
  Undergraduate student (Summer 2013) (GEPROM Scholarship)
  Title of project: Homology modeling of NhaA and NhaP cation/proton antiporters
  
• Liangyu Li
  CHEM 419 student (Winter 2013)
  Title of project: Small-molecule affinity maps for hepatitis C virus NS2 protease
  
• Shihao Wang
  Postdoctoral researcher (October 2009 – October 2012)
  PhD: Queen's University (with Natalie Cann)
  Research interests: Computational modeling and simulation of biological systems, Structure-based drug design, Free energy calculations, Force field development
  
• Laurent MacKay
  Undergraduate student (Summer 2012) (Physics Co-op Program, NSERC USRA Award)
  Title of project: Molecular models for proton transfer reactions in proteins
  PHYS 497 student (Winter 2013)
  Title of project: Conformational search algorithms for proton transfer reactions
  
• Yumeshanand Ramrup
  CHEM 419 student (Summer 2012)
  Title of project: Molecular modeling of calcium and magnesium binding in proteins
  
• Mark Gates
  CHEM 419 student (Summer 2012)
  Title of project: Molecular modeling of the active site of Mycobacterium tuberculosis truncated hemoglobin N
  
• Esam Orabi
  MSc student (May 2009 – April 2011)
  Title of project: Molecular modeling of cation-π interactions and ammonium permeation in AmtB
  
• Roger Chakkal
  Undergraduate student (Summer 2010)
  Title of project: Docking studies of the active site of the NS2 protease
  
• Ian Jaworski
  CHEM 419 student (Fall 2009)
  Title of project: Theoretical study of the reactivity of class B2 metallo beta-lactamases
  
• Tuong Vinh Nguyen
  Undergraduate student (Summer 2009) (Computer Science Co-op Program)
  Title of project: Construction of a database of molecular models of chemical reactions in proteins
  
• Shan Zhi (Sammy) Zhang
  Undergraduate student (Summer 2008) (NSERC USRA Award)
  Title of project: Gas-phase models of metalloenzyme active sites
  
• Farah Abdul Ahad
  SCOL 290 student (Summer 2008) (Science College)
  Title of project: Cation-π interactions in blood coagulation factors
  
• Jean-François Prieur
  Undergraduate student (Summer 2008)
  Research assistant (Fall 2008 and Winter 2009)
  Undergraduate student (Summer 2009) (PROTEO Summer Award)
  Research assistant (Fall 2009 and Winter 2010)
  Title of project: Construction of a database of metalloenzyme active sites