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Rosta, Edina
326  results:
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1

Enhanced sampling simulations of biomolecular systems:

Rosta, Edina
Biophysical Journal.  123 (2024)  3 - p. 199a , 2024
Link: https://doi.org/10.1016/..
 
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2

Direct Calculation of Electron Transfer Rates with the Binl..:

Koczor-Benda, Zsuzsanna ; Mateeva, Teodora ; Rosta, Edina
The Journal of Physical Chemistry Letters.  14 (2023)  44 - p. 9935-9942 , 2023
Link: https://doi.org/10.1021/..
 
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3

Variational kinetic clustering of complex networks:

Koskin, Vladimir ; Kells, Adam ; Clayton, Joe...
The Journal of Chemical Physics.  158 (2023)  10 - p. , 2023
Link: https://doi.org/10.1063/..
 
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4

SERS Sensing of Dopamine with Fe(III)‐Sensitized Nanogaps i..:

Niihori, Marika ; Földes, Tamás ; Readman, Charlie A...
Small.  19 (2023)  48 - p. , 2023
Link: https://doi.org/10.1002/..
 
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5

The proton transfer mechanism of the Ras GTPases, the effec..:

Berta, Dénes ; Gehrke, Sascha ; Rosta, Edina
Biophysical Journal.  122 (2023)  3 - p. 178a , 2023
Link: https://doi.org/10.1016/..
 
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6

Strong structuring arising from weak cooperative O-H···π an..:

Di Mino, Camilla ; Seel, Andrew G. ; Clancy, Adam J....
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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7

Mechanism-Based Redesign of GAP to Activate Oncogenic Ras:

Berta, Dénes ; Gehrke, Sascha ; Nyíri, Kinga..
Journal of the American Chemical Society.  145 (2023)  37 - p. 20302-20310 , 2023
Link: https://doi.org/10.1021/..
 
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8

Investigating the Unbinding of Muscarinic Antagonists from ..:

Buigues, Pedro J. ; Gehrke, Sascha ; Badaoui, Magd...
Journal of Chemical Theory and Computation.  19 (2023)  15 - p. 5260-5272 , 2023
Link: https://doi.org/10.1021/..
 
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9

Dynamic regulation of RAS and RAS signaling:

Kolch, Walter ; Berta, Dénes ; Rosta, Edina
Biochemical Journal.  480 (2023)  1 - p. 1-23 , 2023
Link: https://doi.org/10.1042/..
 
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10

Molecular Vibration Explorer: an Online Database and Toolbo..:

Koczor-Benda, Zsuzsanna ; Roelli, Philippe ; Galland, Christophe.
The Journal of Physical Chemistry A.  126 (2022)  28 - p. 4657-4663 , 2022
Link: https://doi.org/10.1021/..
 
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11

In-Situ Spectro-Electrochemistry of Conductive Polymers Usi..:

Peng, Jialong ; Lin, Qianqi ; Földes, Tamás...
ACS Nano.  16 (2022)  12 - p. 21120-21128 , 2022
Link: https://doi.org/10.1021/..
 
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12

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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13

Collective Mid-Infrared Vibrations in Surface-Enhanced Rama..:

Mueller, Niclas S. ; Arul, Rakesh ; Jakob, Lukas A....
Nano Letters.  22 (2022)  17 - p. 7254-7260 , 2022
Link: https://doi.org/10.1021/..
 
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14

Detecting mid-infrared light by molecular frequency upconve..:

Xomalis, Angelos ; Zheng, Xuezhi ; Chikkaraddy, Rohit...
Science.  374 (2021)  6572 - p. 1268-1271 , 2021
Link: https://doi.org/10.1126/..
 
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15

Nanoparticle surfactants for kinetically arrested photoacti..:

Sokołowski, Kamil ; Huang, Junyang ; Földes, Tamás...
Nature Nanotechnology.  16 (2021)  10 - p. 1121-1129 , 2021
Link: https://doi.org/10.1038/..
 
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