article pubs acs org jchemeduc using free computational resources to illustrate the drug design process in an undergraduate medicinal chemistry course ricardo p rodrigues saulo f andrade susimaire p mantoani ...
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...Article pubs acs org jchemeduc using free computational resources to illustrate the drug design process in an undergraduate medicinal chemistry course ricardo p rodrigues saulo f andrade susimaire mantoani vera l eier lima vinicius b silva and daniel kawano faculdade de ciencias farmaceuticas ribeirao preto universidade sao paulo avenida do cafe s n brazil farmacia federal rio grande sul ipiranga porto alegre departamento biomedicina e pontificia catolica goias rua no goiania quimica organica instituto estadual campinas josue castro supporting information abstract advances dissemination of computer technolo gies eld research now enable use molecular modeling tools teach important concepts pharmacy students a series laboratories is described introduce commonly adopted silico methods such as geometry optimization pharmaco phore protein ligand docking simulations homology virtual screening pharmacokinetics toxicity predictions freely available software web servers are selected compose thi...