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Development and Application of Computational Techniques to Drug Discovery and Structure-Function Relationships

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Development and Application of Computational Techniques to Drug Discovery and Structure-Function Relationships Tesis doctoral Departament de Bioquímica i de Biologia Molecular DEVELOPMENT AND APPLICATION OF COMPUTATIONAL TECHNIQUES TO DRUG DISCOVERY AND STRUCTURE-FUNCTION RELATIONSHIPS Jose Carlos Gómez Tamayo Mireia Dunach Masjuan Tutor Gianluigi Caltabiano Arnau Cordomí Montoya Director * ! *%* & ! ' (, *%+ ! ! - *%, ! # ! 0 *%- $1 *%. " 2 + +%* ! +, +%+ !+- +%, +. +%- !$! +/ +%. !+1 +%/ ! ! %+2 +%0 ,) , ",, ) )$& !(* )$' # (, )$( ! )& )$) % *. -. )$* % ! &&, )$+ " # *% , ! % $ &(* * &** * , - $ " /&... ,05*15 - ,/-) & & # $ * ,*- ,/&0-) $$ # & & & ' &, -& & & $ & & ,1-) !$ !! $ $ ! & & ) $# !& ,2-) $& ! ! ( & &&%%+ 0& & $,/-) $ $ /3 & $ $02 &%%+ $ $02 & $ $/3 $& " & $ 4./ , /-) !$& ! ,3-) && & & & %%+ !$) # $ have permitted to elucidate the crystal structures of many receptors) -+,-& -+,-*)-*' # ( ) , which also terms this family of proteins as 7TM receptors* % ! " "# ' #. ." 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