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Vytautas Petrauskas
122  results:
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1

From X-ray crystallographic structure to intrinsic thermody..:

Paketurytė-Latvė, Vaida ; Smirnov, Alexey ; Manakova, Elena...
IUCrJ.  11 (2024)  4 - p. 556-569 , 2024
Link: https://doi.org/10.1107/..
 
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2

Protein-ligand binding database (PLBD) of intrinsic thermod..:

Petrauskas, Vytautas ; Matulis, Daumantas
Biophysical Journal.  123 (2024)  3 - p. 474a , 2024
Link: https://doi.org/10.1016/..
 
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3

Thermal shift assay for protein–ligand dissociation constan..:

Petrauskas, Vytautas ; Kazlauskas, Egidijus ; Gedgaudas, Marius...
TrAC Trends in Analytical Chemistry.  170 (2024)  - p. 117417 , 2024
Link: https://doi.org/10.1016/..
 
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4

Intrinsic Solubility of Ionizable Compounds from pKa Shift:

Preikša, Joku̅bas ; Petrikaitė, Vilma ; Petrauskas, Vytautas.
ACS Omega.  8 (2023)  47 - p. 44571-44577 , 2023
Link: https://doi.org/10.1021/..
 
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5

PLBD: protein–ligand binding database of thermodynamic and ..:

Lingė, Darius ; Gedgaudas, Marius ; Merkys, Andrius...
Database.  2023 (2023)  - p. , 2023
Link: https://doi.org/10.1093/..
 
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6

The Paradigm of an Explainable Artificial Intelligence (XAI..:

, In: Studies in Computational Intelligence; Data Science in Applications,
Petrauskas, Vytautas ; Jasinevicius, Raimundas ; Kazanavicius, Egidijus. - p. 167-209 , 2023
Link: https://doi.org/10.1007/..
 
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7

Factors, associated with elevated concentration of soluble ..:

Grincevičienė, Švitrigailė ; Vaitkienė, Daiva ; Kanopienė, Daiva...
Scientific Reports.  12 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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8

Denaturant- or ligand-induced changes in protein volume by ..:

Skvarnavičius, Gediminas ; Toleikis, Zigmantas ; Matulis, Daumantas.
Physical Chemistry Chemical Physics.  24 (2022)  28 - p. 17279-17288 , 2022
Link: https://doi.org/10.1039/..
 
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9

Picomolar fluorescent probes for compound affinity determin..:

Matulienė, Jurgita ; Žvinys, Gediminas ; Petrauskas, Vytautas...
Scientific Reports.  12 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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10

Thermott: A comprehensive online tool for protein–ligand bi..:

Gedgaudas, Marius ; Baronas, Denis ; Kazlauskas, Egidijus..
Drug Discovery Today.  27 (2022)  8 - p. 2076-2079 , 2022
Link: https://doi.org/10.1016/..
 
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11

Interactions between S100A9 and Alpha-Synuclein: Insight fr..:

Toleikis, Zigmantas ; Bobrovs, Raitis ; Janoniene, Agne...
International Journal of Molecular Sciences.  23 (2022)  12 - p. 6781 , 2022
Link: https://doi.org/10.3390/..
 
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12

Explainable Artificial Intelligence-Based Decision Support ..:

Petrauskas, Vytautas ; Jasinevicius, Raimundas ; Damuleviciene, Gyte...
Applied Sciences.  11 (2021)  24 - p. 11763 , 2021
Link: https://doi.org/10.3390/..
 
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13

Protein–Ligand Binding Volume Determined from a Single 2D N..:

Skvarnavičius, Gediminas ; Toleikis, Zigmantas ; Michailovienė, Vilma...
The Journal of Physical Chemistry B.  125 (2021)  22 - p. 5823-5831 , 2021
Link: https://doi.org/10.1021/..
 
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14

Switching the Inhibitor‐Enzyme Recognition Profile via Chim..:

Smirnovienė, Joana ; Smirnov, Alexey ; Zakšauskas, Audrius...
ChemistryOpen.  10 (2021)  5 - p. 567-580 , 2021
Link: https://doi.org/10.1002/..
 
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15

Uncertainty in protein–ligand binding constants: asymmetric..:

Paketurytė, Vaida ; Petrauskas, Vytautas ; Zubrienė, Asta...
European Biophysics Journal.  50 (2021)  3-4 - p. 661-670 , 2021
Link: https://doi.org/10.1007/..
 
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