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Extreme rearrangement
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OPTIM: A program for optimizing geometries and calculating reaction pathways
by David J. Wales
Rotamers in CHARMM19
by Semen A. Trygubenko and David J. Wales
[pdf]
[ps]
[patches for CHARMM19 topology and parameter files]
Poster "Finding rearrangement pathways"
by Tetyana V. Bogdan and Semen A. Trygubenko
[pdf]
[gzipped ps]
. This poster was presented at "
Algorithms for Macromolecular Modelling IV
" meeting in Leicester in August 2004
Debian wallpaper project "Naturally Debian"
by Tetyana V. Bogdan and Semen A. Trygubenko
Presentation "Pathways and energy landscapes"
by Semen A. Trygubenko
[pdf]
[gzipped ps]
. This presentation was given at "
Workshop on Energy Landscapes and Dynamics 2005
", Telluride, Colorado in August 2005
Graph transformation programs
by Semen A. Trygubenko
Semen A. Trygubenko, PhD thesis (University of Cambridge, January 2006),
Pathways and Energy Landscapes