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Pecina, Adam
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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