Computing for Science

Physicist (Science Division - Computing for Science)

Papers

 

R. M. F. Leal, S. Russi, G. P. Bourenkov, & A. N. Popov (2013). A survey of global radi-

ation damage to 15 different protein crystal types at room temperature: a new decay model.

Synchrotron Rad. 20 in print.

R. Giordano, R. M. F. Leal, G. Bourenkov, S. McSweeney, A. Popov (2012). The application

of hierarchical cluster analysis to the selection of isomorphous crystals. Acta Cryst. D 68,

649-658.

S. Brockhauser, O. Svensson, M. W. Bowler, M. Nanao, E. Gordon, R. M. F. Leal, A. Popov,

M. Gerring, A. A. McCarthy and A. Gotz (2011). The use of workflows in the design and

implementation of complex experiments in macromolecular crystallography. Acta Cryst. D 68,

975-984.

R. M. F. Leal, S. Russi, G. P. Bourenkov & A. N. Popov (2011). Characterization of radiation

damage in macromolecular crystals at cryo and room temperature. Acta Cryst. A 67, C655-

C656.

S. Delagenière, P. Brenchereau, L. Launer, A.W. Ashton, R. Leal, S. Veyrier, J. Gabadinho, E.

J. Gordon, S. D. Jones, K. E. Levik, S. M. McSweeney, S. Monaco, M. Nanao, D. Spruce, O.

Svensson, M. A. Walsh & G. A. Leonard (2011). ISPyB: an Information Management System

for Synchrotron Macromolecular Crystallography. Bioinformatics 27, 3186-3192.

R. M. F. Leal, G. P. Bourenkov, O. Svensson, D. Spruce, M. Guijarro & A. N. Popov (2011).

Experimental procedure for the characterization of radiation damage in macromolecular crystals.

J. Synchrotron Rad. 18, 381-386.

S. C. M. Teixeira, M. P. Blakeley, R. M. F. Leal, S. M. Gillespie, E. P. Mitchell & V. T.

Forsyth (2010). Sweet neutron crystallography. Acta Cryst. D66, 1139-1143.

R. M. F. Leal, S. Callow, P. Callow, M. P. Blakeley, C. J. Cardin, W. A. Denny, S. C. M.

Teixeira, E. P. Mitchell & V. T. Forsyth (2010). Combined neutron and X-ray diffraction studies

of DNA in crystals and solutions. Acta Cryst. D66, 1244-1248.

R. M. F. Leal, I. Belyaev, S. C. M. Teixeira, V. T. Forsyth, E. P. Michell & A. S. Popov

(2009). Absorption correction and optimal planning of data collection based on a 3D sample

model. Acta Cryst. A65, s160.

S. Teixeira, M. Blakeley, R. Leal, E. Mitchell & T. Forsyth (2009). What is so sweet about

neutron crystallography?. Acta Cryst. A65, s167.

R. M. F. Leal, S. C. M. Teixeira, M. P. Blakeley, E. P. Mitchell & V. T. Forsyth (2009). A

preliminary neutron crystallographic study of an A-DNA crystal. Acta Cryst. F 65, 232-235.

R. M. F. Leal, S. C. M. Teixeira, V. Rey, V. T. Forsyth & E. P. Mitchell (2008). Absorption

correction based on a three-dimensional model reconstruction from visual images. J. Appl.

Cryst. 41, 729-737.

S. C. M. Teixeira, M. P. Blakeley, R. M. F. Leal, E. P. Mitchell & V. T. Forsyth (2008). A

preliminary neutron crystallographic study of thaumatin. Acta Cryst. F 64, 378-381.

R. Leal, S. Teixeira, V. Rey-Bakaikoa, E. Mitchell & T. Forsyth (2007). Absorption correction

based on a 3D crystal and support model. Acta Cryst. A63, s78-s79.

 

Projects

Mantid : http://www.mantidproject.org

 

The Mantid project provides a framework that supports high-performance computing and visualisation of scientific data.

Mantid has been created to manipulate and analyse Neutron and Muon scattering data, but could be applied to many other techniques.

 

Experiments

X-ray and Neutron macromolecular crystallography, X-ray and Neutron data analysis.

Personal part

I have programmed in 20 different languages, managed teams and projects, analysed and modelled business processes, designed software architectures, helped companies grow and innovate, written a 300 pages PhD thesis, learnt Biochemistry at the age of 30, published scientific articles, trained people, taught science to the public and persuaded teenagers to become scientists!