NeilBruce-crop

 

 

Research Interests

  • Kinetics and thermodynamics of biomolecular association
  • Protein flexibility
  • Macromolecular diffusion
  • Algorithm and software development for molecular simulations

 

Employment

  • Postdoctoral Researcher (HITS) 2014 – present
  • Postdoctoral Research Associate (University of Manchester) 2011 – 2014

 

Education

  • PhD (University of Manchester) 2011
  • MSc Molecular Modelling (Cardiff University) 2007
  • MChem Chemistry (University of Sheffield) 2005

 

Publications

  • M Martinez, NJ Bruce, J Romanowska, DB Kokh, M Ozboyaci, X Yu, MA Öztürk, S Richter and RC Wade, “SDA 7: A modular and parallel implementation of the simulation of diffusional association software”, J. Comput. Chem., 36, 1631-1645, (2015).
  • NJ Bruce, DB. Kokh, M Ozboyaci and RC Wade, “Modelling of solvation effects for Brownian dynamics simulation of biomolecular recognition”, In Computational Trends in Solvation and Transport in Liquids Lecture Notes, volume 28 of IAS Series, (2015) pp. 259-280. Eds. G Sutmann, J Grotendorst, G Gompper, D Marx, Schriften des Forschungszentrums Juelich.
  • A Atzori, NJ Bruce, RA Bryce, “Exploring Protein Kinase Conformation Using Swarm-Enhanced Sampling Molecular Dynamics”, J. Chem. Inf. Model, 54, 2764-2775, (2014).
  • NJ Bruce, RA Bryce, “Ab Initio Protein Folding Using a Cooperative Swarm of Molecular Dynamics Trajectories”, J. Chem. Theory Comput., 6, 1925-1930, (2010).
  • NJ Bruce, DL Chen, SG Dastidar, GE Marks, CH Schein, RA Bryce, “Molecular dynamics simulations of Aβ fibril interactions with β-sheet breaker peptides”, Peptides, 31, 2100-2108, (2010).

 

Teaching Experience

  • 2014 – present: Supervised the Bachelor’s projects of two students at Heidelberg University
  • January 2015: Lecture and tutorial supervision at ‘Grundkurs Bioinformatik’ at  ZMBH, Heidelberg.
  • 2009 – 2010: Supervised Physical Chemistry practicals at the University of Manchester.