Principal investigator

• Guillaume Lamoureux (IPA: [gijom lamuʁø])
  
  Associate Professor
  Department of Chemistry
  and Center for Computational and Integrative Biology
  Rutgers University–Camden
  
  Joint Health Sciences Center
  201 South Broadway
  Camden, NJ 08103 (map)
  
  Links: Email Twitter GitHub
  

Group members

• Siddharth Bhadra-Lobo
  PhD student (January 2020 – )
  MS: Rutgers University
  Title of project: Prediction of protein-protein interactions using deep neural networks
  Links: GitHub
  
• Anushriya Subedy
  PhD student (January 2022 – )
  MS: Rutgers University
  Title of project: TBD
  Links: GitHub Google Scholar
  
• Julieanna Reeves
  MS student (September 2019 – )
  Title of project: Molecular dynamics investigation of sequence-dependent peptide folding
  
• Matthew Gilmurray
  MS student (May 2021 – )
  Title of project: Solvation structure of protein complexes
  
• Francis Matreale
  MS student (May 2022 – )
  Title of project: TBD
  
• Interesting in joining the lab? See Positions.

Past group members

• Talant Ruzmetov
  Postdoctoral researcher (August 2019 – August 2021)
  PhD: Kent State University
  Research interests: Protein folding and binding, Machine learning
  Links: GitHub
  
• Devlina Chakravarty
  Postdoctoral researcher (August 2019 – February 2021)
  PhD: University of Calcutta
  Research interests: Computational biology; Structural bioinformatics; Protein-protein, protein-DNA and protein-ligand interactions; Protein-protein docking; Structure-function relationship in proteins; Prediction of protein interactions and structure of the assembly
  Links: Google Scholar
  

Past group members (Concordia University)

• Bhupinder Singh Metneja
  MSc student (May 2017 – November 2021)
  MSc: Hamburg University of Technology
  Title of project: Algorithms to explore molecular potential energy surfaces
  
• Navjote Kooner
  Graduate Research Assistant (September 2017 – August 2019)
  Title of project: Fragment-based identification of functional hot spots in enzymes
  
• Georgy Derevyanko
  Postdoctoral researcher (November 2016 – August 2019)
  PhD: Université Joseph Fourier
  Research interests: Structural molecular biology, Protein-protein interactions, Machine learning
  Links: GitHub
  
• Tuğba Nur Öztürk
  PhD student (August 2014 – August 2019)
  MSc: Koç University
  Title of project: Molecular modeling of calcium-sensing and calcium-transport proteins
  
• 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
  
• 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
  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