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TITLE

Trends in Computer Aided Drug Discovery


ABSTRACT

Presentation will cover the trends in computer aided drug discovery both in knowledge based and energy based methods.¡¡

For knowledge methods, the following subjects will be included

-¡¡ ¡¡QSAR methods

-¡¡ ¡¡Artificial Neural Networks

-¡¡ ¡¡Adverse outcome pathway (AOP)

For energy based method,

-¡¡ ¡¡Shortcoming of empirical potential energy function, fece fields

-¡¡ ¡¡Fragment Molecular Orbital (FMO) method

-¡¡ ¡¡FMO for protein energy calculation and it¡¯s energy decomposition

-¡¡ ¡¡FMO for PPI inhibitor development