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Adam Pecina

Experienced Researcher Marie Curie

Research Line

Molecular Modeling and Drug Discovery


IIT Central Research Labs Genova


Great Campus, Via Enrico Melen 83, 16152 Genoa-Erzelli, Italy
+39 010 2897 405
+39 010 817 2405
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Adam is currently a Marie Skłodowska-Curie Fellow hosted by IIT's Molecular Modeling & Drug Discovery Lab of Dr. Marco De Vivo. Adam earned his Ph.D. from the "Modeling of Chemical Properties of Nano- and Biostructures" program at the Charles University in Prague, while working at the Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences (IOCB CAS) under the supervison of Prof. Pavel Hobza. Adam's dissertation focused on quantum chemical approaches to in silico drug design. After almost 2 years of postdocing in prof. Hobza's group at IOCB CAS, he joined Dr. De Vivo's group in January 2018. Adam's research aims at computationally driven drug design for pharmaceutically relevant metalloenzymes and his MSCA project is focused on elucidating the structure-function relationship and molecular mechanisms of functionalized gold nanoparticles (nanozymes) with phosphodiester bond cleavage activity. 


2019 - 2021:  "CompNanozymes" - funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 843117


Research Interests

  • structure and dynamics of molecules, molecular clusters, biomolecules and nanoparticles

  • structure-function relationship and molecular mechanisms, catalysis, non-covalent interactions, molecular design

  • high-level QM, DFT and semiempirical methods, QM/MM approach, DFT-SAPT decomposition, MD/quenching, MD simulations, docking/scoring algorithms


2019 Marie Sklodowska-Curie Individual Fellowship for "CompNanozymes" project (grant agreement No.843117)

2018 MSCA Seal of Excellence - Certificate of European Commission for “CompNanozymes” project proposal in H2020-MSCA-IF-2017

2017 Italian Chemical Society’s Prize for the Best Oral Communication (XI. EWDD, Siena, Italy)

2017 Trainee grant (COST Action CA15135) for Mu.Ta.Lig. Training School and XI. EWDD, Siena, Italy

2008 Merit-based Scholarship during Master study, Palacký University in Olomouc, Czech Republic

2007 Dean’s Prize for the Best poster presentation, Palacký University in Olomouc, Czech Republic


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