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Sokalski, W. Andrzej
177  Ergebnisse:
Personensuche X
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1

Catalytic Fields as a Tool to Analyze Enzyme Reaction Mecha..:

Kędzierski, Paweł ; Moskal, Martyna ; Sokalski, W. Andrzej
The Journal of Physical Chemistry B.  125 (2021)  42 - p. 11606-11616 , 2021
Link: https://doi.org/10.1021/..
 
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2

Bottom-Up Nonempirical Approach To Reducing Search Space in..:

Beker, Wiktor ; Sokalski, W. Andrzej
Journal of Chemical Theory and Computation.  16 (2020)  5 - p. 3420-3429 , 2020
Link: https://doi.org/10.1021/..
 
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3

Extreme Catalytic Power of Ketosteroid Isomerase Related to..:

Kędzierski, Paweł ; Zaczkowska, Maria ; Sokalski, W. Andrzej
The Journal of Physical Chemistry B.  124 (2020)  18 - p. 3661-3666 , 2020
Link: https://doi.org/10.1021/..
 
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4

Predicting substituent effects on activation energy changes..:

Chojnacka, Martyna ; Feliks, Mikolaj ; Beker, Wiktor.
Journal of Molecular Modeling.  24 (2017)  1 - p. , 2017
Link: https://doi.org/10.1007/..
 
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5

Are Various σ‐Hole Bonds Steered by the Same Mechanisms?:

Grabowski, Sławomir J. ; Sokalski, W. Andrzej
ChemPhysChem.  18 (2017)  12 - p. 1569-1577 , 2017
Link: https://doi.org/10.1002/..
 
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6

Application of a simple quantum chemical approach to ligand..:

Jedwabny, Wiktoria ; Panecka-Hofman, Joanna ; Dyguda-Kazimierowicz, Edyta..
Journal of Computer-Aided Molecular Design.  31 (2017)  8 - p. 715-728 , 2017
Link: https://doi.org/10.1007/..
 
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7

Rapid Estimation of Catalytic Efficiency by Cumulative Atom..:

Beker, Wiktor ; van der Kamp, Marc W. ; Mulholland, Adrian J..
Journal of Chemical Theory and Computation.  13 (2017)  2 - p. 945-955 , 2017
Link: https://doi.org/10.1021/..
 
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8

Tracking molecular charge distribution along reaction paths..:

Langner, Karol M. ; Beker, Wiktor L. ; Dyguda-Kazimierowicz, Edyta.
Structural Chemistry.  27 (2016)  2 - p. 429-438 , 2016
Link: https://doi.org/10.1007/..
 
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9

International conference on "Modeling Interaction in Biomol..:

Burda, Jaroslav V. ; Sokalski, Andrzej W. ; Leszczynski, Jerzy
Journal of Molecular Modeling.  22 (2016)  5 - p. , 2016
Link: https://doi.org/10.1007/..
 
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10

Universal short-range ab initio atom–atom potentials for in..:

Konieczny, Jan K. ; Sokalski, W. Andrzej
Journal of Molecular Modeling.  21 (2015)  8 - p. , 2015
Link: https://doi.org/10.1007/..
 
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11

Physical Nature of Intermolecular Interactions in [BMIM][PF..:

Szefczyk, Borys ; Sokalski, W. Andrzej
The Journal of Physical Chemistry B.  118 (2014)  8 - p. 2147-2156 , 2014
Link: https://doi.org/10.1021/..
 
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12

Alkaline Hydrolysis of Organophosphorus Pesticides: The Dep..:

Dyguda-Kazimierowicz, Edyta ; Roszak, Szczepan ; Sokalski, W. Andrzej
The Journal of Physical Chemistry B.  118 (2014)  26 - p. 7277-7289 , 2014
Link: https://doi.org/10.1021/..
 
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13

Physical Nature of Fatty Acid Amide Hydrolase Interactions ..:

Giedroyć-Piasecka, Wiktoria ; Dyguda-Kazimierowicz, Edyta ; Beker, Wiktor...
The Journal of Physical Chemistry B.  , 2014
Link: https://doi.org/10.1021/..
 
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14

International conference on "Modeling interaction in biomol..:

Burda, Jaroslav V. ; Sokalski, Andrzej W.
Journal of Molecular Modeling.  19 (2013)  11 - p. 4627-4627 , 2013
Link: https://doi.org/10.1007/..
 
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15

Low cost prediction of relative stabilities of hydrogen bon..:

Beker, Wiktor ; Langner, Karol M. ; Dyguda‐Kazimierowicz, Edyta..
Journal of Computational Chemistry.  34 (2013)  21 - p. 1797-1799 , 2013
Link: https://doi.org/10.1002/..
 
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