Adam Pecina

Adam Pecina is a computational chemist with 10 years of research experience with multi-domain collaborations with experimentalists, mostly biologists, X-ray crystallographers and organic/inorganic synthetic chemists.

Adam earned his Ph.D. from the "Modeling of Chemical Properties of Nano- and Bio-structures" program at Charles University in Prague, while working under the supervision of Prof. Pavel Hobza at Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences.His dissertation focused on quantum chemical approaches to in silico drug design.

He gained a substantial experience in computer simulations of non-covalently bonded molecules and molecular clusters, inorganic crystals and biomolecules and has dealt with many aspects of computer simulations, such as high-level ab initio quantum mechanical, corrected DFT and semiempirical methods, molecular dynamics sampling (MD/quenching) and hybrid QM/MM approaches, DFT-SAPT decompositions and molecular docking/scoring algorithms.

Adam is currently a Postdoctoral Research Fellow in the Molecular Modeling & Drug Discovery Lab of Dr. Marco De Vivo at Italian Institute of Technology (IIT). His current research aims at elucidating the structure-function relationship and molecular mechanisms of pharmaceutically relevant biomolecules and nanoparticles.

ResearcherID: K-2304-2012 | ORCID: 0000-0003-3890-7831

Up to date list of publications is => available here <=

TOPIC: Quantum mechanics in the hit-to-lead phase

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