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SUMMARY:Numerical approach to structure\, folding and aggregation of prote
 ins - Prof. Chin-Kun Hu\, Institute of Physics\, Academia Sinica\, Taipei\
 , Taiwan
DTSTART:20111031T141500Z
DTEND:20111031T151500Z
UID:TALK33615@talks.cam.ac.uk
CONTACT:Joe Bhaseen
DESCRIPTION:In this talk\, I briefly review some recent developments in nu
 merical approach to structure\, folding and aggregation of proteins. The t
 opics under discussion include: (1) developments of algorithms and compute
 r packages for all-atom simulations of proteins [1]\, (2) development of a
 lgorithm to compute volume V\, surface area A\, and cavity of proteins by 
 analytic equations [2]\, (3) unfolding and refolding of immunoglobulin dom
 ain I27 and ubiquitin [3]\, and (4) simple models for relaxation and aggre
 gation of proteins [4\,5].    \n\n[1] F. Eisenmenger\,  U. H.E. Hansmann\,
  S. Hayryan\, and C.-K. Hu. Computer Phys. Commu. 138\, 192-212 (2001) and
  174\, 422 (2006)\; C.-Y. Lin\, C.-K. Hu\, and U.H.E. Hansmann\, Proteins 
 52\, 436-445 (2003)\; S. Hayrian\, C.-K. Hu\, S.-Y. Hu and R.-J. Shang. J.
  Comp. Chem. 22\, 1287-1296 (2001)\; R. G. Ghulghazaryan\, S. Hayryan and 
 C.-K. Hu. J. Comp. Chem.\, 28\, 715 (2007).\n\n[2] S. Hayryan\, C.-K.  Hu\
 , J. Skvrivanek\,  E. Hayrjan\, I. Pokorny. J. Comp. Chem. 26\, 334 (2005)
 \;  J. Busa\, J.  Dzurina\, E. Hayryan\, S. Hayryan\, C.-K. Hu\, J. Plavka
 \,  I.  Pokorny\,  J. Skrivanek\, and M-C. Wu. Comp. Phys. Commun. 165\, 5
 9 (2005)\; J. Busa\,\, S. Hayryan\, C.-K. Hu\, J. Skrivanek\, and M.-C. Wu
 \, J. Comp. Chem. 30\, 346-357 (2009) and  Comp. Phys. Commun. 181\, 2116 
 (2010).\n\n[3] M.-S. Li\, C.-K. Hu\, D. K. Klimov\, and D. Thirumalai\, Pr
 oc. Natl. Acad. Sci. USA 103\, 93 (2006)\; M.-S. Li\, M. Kouza and C.-K. H
 u\, Biophysical J. 91\, 547(2007). M. Kouza\, C.-K. Hu and M. S. Li\, J. C
 hem. Phys 128\, 045103 (2008).\n\n[4] M. S. Li\,  N. T. Co\, G. Reddy\, C.
  -K. Hu\, J. E. Straub\, and D. Thirumalai\, Phys. Rev. Lett. 105\, 218101
 (2010).\n\n[5]  W.-J. Ma and C.-K. Hu\, J. Phys. Soc. Japan 79\, 024005\, 
 024006\, 054001\, 104002 (2010)\;  C.-K. Hu and W.-J. Ma\, Prog. Theo. Phy
 s. Supp. 184\, 369 (2010).\n
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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