Adam Pecina

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 9

Top Venues

Nature communications

Chemphyschem : a European journal of chemical physics and physical chemistry

ChemPlusChem

Angewandte Chemie (International ed. in English)

Istituto Italiano di Tecnologia

Charles University in Prague, Faculty of Science (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Istituto Italiano di Tecnologia Jun 01 2019

Italy

Marie Curie Researcher :: Molecular Modeling and Drug Discovery

Istituto Italiano di Tecnologia Jan 01 2018 - May 31 2019

Italy

Postdoctoral Research Fellow with Marco De Vivo :: Molecular Modeling and Drug Discovery

Institute of Organic Chemistry and Biochemistry - Feb 28 2018

Czechia

Postdoctoral Fellow with Pavel Hobza :: Computational Chemistry

Institute of Organic Chemistry and Biochemistry - Feb 29 2016

Czechia

Research assistant :: Department of Computational Chemistry, prof. Pavel Hobza's group

Institute of Theoretical and Computational Chemistry, Pohang University of Science and Technology

South Korea

Visiting Researcher, World Class University (WCU) Program :: Prof. Kwang S. Kim group

Education History

Charles University in Prague, Faculty of Science Sep 01 2009 - Feb 29 2016

Czechia

PHD :: Modelling of Chemical Properties of Nano- and Bio- structures

Palacky University Olomouc, Faculty of Science

Czechia

MSC :: Biophysical Chemistry

Palacky University Olomouc, Faculty of Science

Czechia

BSC :: Applied Chemistry

Publications

Adam Pecina, Jindřich Fanfrlík, Martin Lepšík, Jan Řezáč
SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein-ligand binding affinity predictions in minutes. Nature communications 15 (1) (2024)
Adam Pecina, Jindřich Fanfrlík, Martin Lepšík, Jan Řezáč
SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein-ligand binding affinity predictions in minutes. Nature communications 15 (1) (2024)
Adam Pecina, Jindřich Fanfrlík, Martin Lepšík, Jan Řezáč
SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein-ligand binding affinity predictions in minutes. Nature communications 15 (1) (2024)
Adam Pecina, Daniele Rosa-Gastaldo, Laura Riccardi, Sebastian Franco-Ulloa, Emil Milan, Paolo Scrimin, Fabrizio Mancin, Marco De Vivo
On the Metal-Aided Catalytic Mechanism for Phosphodiester Bond Cleavage Performed by Nanozymes. ACS catalysis 11 (14) (2021)
Adam Pecina, Saltuk M Eyrilmez, Cemal Köprülüoğlu, Vijay Madhav Miriyala, Martin Lepsik, Jindřich Fanfrlík, Jan Řezáč, Pavel Hobza
SQM/COSMO Scoring Function: Reliable Quantum-Mechanical Tool for Sampling and Ranking in Structure-Based Drug Design. ChemPlusChem 85 (11) (2020)
Joanna Czescik, Susanna Zamolo, Tamis Darbre, Riccardo Rigo, Claudia Sissi, Adam Pecina, Laura Riccardi, Marco De Vivo, Fabrizio Mancin, Paolo Scrimin
A Gold Nanoparticle Nanonuclease Relying on a Zn(II) Mononuclear Complex. Angewandte Chemie (International ed. in English) 60 (3) (2020)
Adam Pecina, Saltuk M Eyrilmez, Cemal Köprülüoğlu, Vijay Madhav Miriyala, Martin Lepsik, Jindřich Fanfrlík, Jan Řezáč, Pavel Hobza
SQM/COSMO Scoring Function: Reliable Quantum-Mechanical Tool for Sampling and Ranking in Structure-Based Drug Design. ChemPlusChem 85 (11) (2020)
Jindřich Fanfrlík, Adam Pecina, Jan Řezáč, Martin Lepsik, Menyhárt-Botond Sárosi, Drahomír Hnyk, Pavel Hobza
Benchmark Data Sets of Boron Cluster Dihydrogen Bonding for the Validation of Approximate Computational Methods. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (23) (2020)
Adam Pecina, Jiří Brynda, Lukáš Vrzal, Ramachandran Gnanasekaran, Magdalena Hořejší, Saltuk M Eyrilmez, Jan Řezáč, Martin Lepšík, Pavlína Řezáčová, Pavel Hobza, Pavel Majer, Václav Veverka, Jindřich Fanfrlík
Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (7) (2018)

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Publication Activity (10 Years)

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Adam Pecina