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Dickson, Callum J.
40  Ergebnisse:
Personensuche X
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1

Reactivities of acrylamide warheads toward cysteine targets..:

Danilack, Aaron D. ; Dickson, Callum J. ; Soylu, Cihan...
Journal of Computer-Aided Molecular Design.  38 (2024)  1 - p. , 2024
Link: https://doi.org/10.1007/..
 
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2

Leveraging Advanced In Silico Techniques in Early Drug Disc..:

Awoonor-Williams, Ernest ; Dickson, Callum J. ; Furet, Pascal..
Journal of Chemical Information and Modeling.  63 (2023)  8 - p. 2520-2531 , 2023
Link: https://doi.org/10.1021/..
 
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3

Combined Free-Energy Calculation and Machine Learning Metho..:

Badaoui, Magd ; Buigues, Pedro J. ; Berta, Dénes...
Journal of Chemical Theory and Computation.  18 (2022)  4 - p. 2543-2555 , 2022
Link: https://doi.org/10.1021/..
 
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4

Lipid21: Complex Lipid Membrane Simulations with AMBER:

Dickson, Callum J. ; Walker, Ross C. ; Gould, Ian R.
Journal of Chemical Theory and Computation.  18 (2022)  3 - p. 1726-1736 , 2022
Link: https://doi.org/10.1021/..
 
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5

Relative Binding Free-Energy Calculations at Lipid-Exposed ..:

Dickson, Callum J ; Hornak, Viktor ; Duca, Jose S
Journal of Chemical Information and Modeling.  61 (2021)  12 - p. 5923-5930 , 2021
Link: https://doi.org/10.1021/..
 
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6

Inhibitor binding influences the protonation states of hist..:

Pavlova, Anna ; Lynch, Diane L. ; Daidone, Isabella...
Chemical Science.  12 (2021)  4 - p. 1513-1527 , 2021
Link: https://doi.org/10.1039/..
 
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7

Chalcogen OCF3 Isosteres Modulate Drug Properties without I..:

Ghiazza, Clément ; Billard, Thierry ; Dickson, Callum..
ChemMedChem.  14 (2019)  17 - p. 1586-1589 , 2019
Link: https://doi.org/10.1002/..
 
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8

Revealing Molecular Determinants of hERG Blocker and Activa..:

Dickson, Callum J. ; Velez-Vega, Camilo ; Duca, Jose S.
Journal of Chemical Information and Modeling.  60 (2019)  1 - p. 192-203 , 2019
Link: https://doi.org/10.1021/..
 
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9

Hidden bias in the DUD-E dataset leads to misleading perfor..:

Chen, Lieyang ; Cruz, Anthony ; Ramsey, Steven...
PLOS ONE.  14 (2019)  8 - p. e0220113 , 2019
Link: https://doi.org/10.1371/..
 
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10

Using Membrane Partitioning Simulations To Predict Permeabi..:

Dickson, Callum J. ; Hornak, Viktor ; Bednarczyk, Dallas.
Journal of Chemical Information and Modeling.  59 (2018)  1 - p. 236-244 , 2018
Link: https://doi.org/10.1021/..
 
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11

Calculating Kinetic Rates and Membrane Permeability from Bi..:

Badaoui, Magd ; Kells, Adam ; Molteni, Carla...
The Journal of Physical Chemistry B.  122 (2018)  49 - p. 11571-11578 , 2018
Link: https://doi.org/10.1021/..
 
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12

Contributions of the membrane dipole potential to the funct..:

Pearlstein, Robert A. ; Dickson, Callum J. ; Hornak, Viktor
Biochimica et Biophysica Acta (BBA) - Biomembranes.  1859 (2017)  2 - p. 177-194 , 2017
Link: https://doi.org/10.1016/..
 
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13

Uncoupling the Structure–Activity Relationships of β2 Adren..:

Dickson, Callum J. ; Hornak, Viktor ; Velez-Vega, Camilo...
Journal of Medicinal Chemistry.  59 (2016)  12 - p. 5780-5789 , 2016
Link: https://doi.org/10.1021/..
 
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14

Structure–Kinetic Relationships of Passive Membrane Permeat..:

Dickson, Callum J. ; Hornak, Viktor ; Pearlstein, Robert A..
Journal of the American Chemical Society.  139 (2016)  1 - p. 442-452 , 2016
Link: https://doi.org/10.1021/..
 
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15

Imaging plasma membrane phase behaviour in live cells using..:

Dent, Michael R. ; López-Duarte, Ismael ; Dickson, Callum J....
Chemical Communications.  52 (2016)  90 - p. 13269-13272 , 2016
Link: https://doi.org/10.1039/..
 
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