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Pecina, Adam
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Online (39)
Mediatypes
Articles (Online) (24)
OpenAccess-fulltext (15)
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1
SQM2.20: Semiempirical quantum-mechanical scoring function ..:
Pecina, Adam
;
Fanfrlík, Jindřich
;
Lepšík, Martin
.
Nature Communications. 15 (2024) 1 - p. , 2024
Link:
https://doi.org/10.1038/..
?
2
Extensive targeting of chemical space at the prime side of ..:
Bach, Kathrin
;
Dohnálek, Jan
;
Škerlová, Jana
...
European Journal of Medicinal Chemistry. 275 (2024) - p. 116606 , 2024
Link:
https://doi.org/10.1016/..
?
3
On the Metal-Aided Catalytic Mechanism for Phosphodiester B..:
Pecina, Adam
;
Rosa-Gastaldo, Daniele
;
Riccardi, Laura
...
ACS Catalysis. 11 (2021) 14 - p. 8736-8748 , 2021
Link:
https://doi.org/10.1021/..
?
4
Front Cover: SQM/COSMO Scoring Function: Reliable Quantum‐M..:
Pecina, Adam
;
Eyrilmez, Saltuk M.
;
Köprülüoğlu, Cemal
...
ChemPlusChem. 85 (2020) 11 - p. 2357-2357 , 2020
Link:
https://doi.org/10.1002/..
?
5
A Gold Nanoparticle Nanonuclease Relying on a Zn(II) Mononu..:
Czescik, Joanna
;
Zamolo, Susanna
;
Darbre, Tamis
...
Angewandte Chemie. 133 (2020) 3 - p. 1443-1452 , 2020
Link:
https://doi.org/10.1002/..
?
6
Benchmark Data Sets of Boron Cluster Dihydrogen Bonding for..:
Fanfrlík, Jindřich
;
Pecina, Adam
;
Řezáč, Jan
...
ChemPhysChem. 21 (2020) 23 - p. 2599-2604 , 2020
Link:
https://doi.org/10.1002/..
?
7
SQM/COSMO Scoring Function: Reliable Quantum‐Mechanical Too..:
Pecina, Adam
;
Eyrilmez, Saltuk M.
;
Köprülüoğlu, Cemal
...
ChemPlusChem. 85 (2020) 11 - p. 2361-2361 , 2020
Link:
https://doi.org/10.1002/..
?
8
SQM/COSMO Scoring Function: Reliable Quantum‐Mechanical Too..:
Pecina, Adam
;
Eyrilmez, Saltuk M.
;
Köprülüoğlu, Cemal
...
ChemPlusChem. 85 (2020) 11 - p. 2362-2371 , 2020
Link:
https://doi.org/10.1002/..
?
9
A Gold Nanoparticle Nanonuclease Relying on a Zn(II) Mononu..:
Czescik, Joanna
;
Zamolo, Susanna
;
Darbre, Tamis
...
Angewandte Chemie International Edition. 60 (2020) 3 - p. 1423-1432 , 2020
Link:
https://doi.org/10.1002/..
?
10
Ranking Power of the SQM/COSMO Scoring Function on Carbonic..:
Pecina, Adam
;
Brynda, Jiří
;
Vrzal, Lukáš
...
ChemPhysChem. 19 (2018) 7 - p. 873-879 , 2018
Link:
https://doi.org/10.1002/..
?
11
Interface Interactions of the Bowman–Birk Inhibitor BTCI in..:
Honda, Diego Elias
;
Martins, João Batista Lopes
;
Ventura, Manuel Mateus
...
European Journal of Organic Chemistry. 2018 (2018) 37 - p. 5203-5211 , 2018
Link:
https://doi.org/10.1002/..
?
12
B–H⋯π: a nonclassical hydrogen bond or dispersion contact?:
Fanfrlík, Jindřich
;
Pecina, Adam
;
Řezáč, Jan
...
Physical Chemistry Chemical Physics. 19 (2017) 28 - p. 18194-18200 , 2017
Link:
https://doi.org/10.1039/..
?
13
SQM/COSMO Scoring Function at the DFTB3-D3H4 Level: Unique ..:
Pecina, Adam
;
Haldar, Susanta
;
Fanfrlík, Jindřich
...
Journal of Chemical Information and Modeling. 57 (2017) 2 - p. 127-132 , 2017
Link:
https://doi.org/10.1021/..
?
14
The non-planarity of the benzene molecule in the X-ray stru..:
Fanfrlík, Jindřich
;
Sedlak, Robert
;
Pecina, Adam
...
Dalton Transactions. 45 (2016) 2 - p. 462-465 , 2016
Link:
https://doi.org/10.1039/..
?
15
The SQM/COSMO filter: reliable native pose identification b..:
Pecina, Adam
;
Meier, René
;
Fanfrlík, Jindřich
...
Chemical Communications. 52 (2016) 16 - p. 3312-3315 , 2016
Link:
https://doi.org/10.1039/..
1-15