2nd Computational Medicinal Chemistry Workshop
June 13th – 18th, 2022
Designᴵᵀ-TO-LEAD will be held in city of Kragujevac, the largest city of the District of Šumadija and the fourth largest city in the Republic of Serbia. Numerous archeological sites from prehistoric, antic and medieval period are testimonies of settlement’s long history. The first written records of medieval square Kragujevac are found in Turkish document, Tapu-Defter, dated in 1476. The city is most probably named after Kraguj, the believed owner of the estate on which the settlement was built. But according to another myth the name came from a bird of prey called kraguj.
The workshop will be organized to have theoretical lectures in the morning, given by experts, and applicative sessions in the afternoon with pre-prepared tutorials. During the first four days, the participants will be gradually introduced to the building and evaluation of predictive 3-D QSAR models, focusing on the correct and in-depth interpretation of the models themselves to design new bio-active molecules. On the fifth day, participants will have the chance to apply the 3-D QSAR methodologies to their chosen set of molecules to develop their own models that will be presented during the last day afternoon. Therefore, the main objective of the course is to prepare the participant to correctly apply computational methods to develop 3-D QSAR protocols and derive ready-to-use models.