Development of novel 3D pharmacophore signatures which are unique identifiers of 3D pharmacophores and which can be applied for (i) library design to select compounds in order to better cover pharmacophore space, (ii) development of ligand-based pharmacophore models, (iii) screening.
Computationally guided de novo design of compounds with desired properties. Development of a platform for multi-objective optmizations of compound properties based on computational models (QSAR, pharmacophore, docking, etc) which canbe applied for optimization of compound properties (ADME, activity, selectivity, etc).
Drug design projects. Application of various in silico approaches in drug design projects.
If you are interested in any of these topics please contact me:
Pavel Polishchuk, PhD. - email@example.com or firstname.lastname@example.org