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Thallmair, Sebastian
110  Ergebnisse:
Personensuche X
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1

Optimal bond constraints for molecular dynamics simulations..:

Fábián, Balázs ; Thallmair, Sebastian ; Hummer, Gerhard
Biophysical Journal.  123 (2024)  3 - p. 426a , 2024
Link: https://doi.org/10.1016/..
 
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2

Optimal Bond Constraint Topology for Molecular Dynamics Sim..:

Fábián, Balázs ; Thallmair, Sebastian ; Hummer, Gerhard
Journal of Chemical Theory and Computation.  19 (2023)  5 - p. 1592-1601 , 2023
Link: https://doi.org/10.1021/..
 
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3

Martini 3 Coarse-Grained Force Field for Cholesterol:

Borges-Araújo, Luís ; Borges-Araújo, Ana C. ; Ozturk, Tugba Nur...
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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4

A locally activatable sensor for robust quantification of o..:

Emmert, Sarah ; Quargnali, Gianluca ; Thallmair, Sebastian.
Nature Chemistry.  15 (2023)  10 - p. 1415-1421 , 2023
Link: https://doi.org/10.1038/..
 
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5

Localization of the tubby domain, a PI(4,5)P2 biosensor, to..:

Thallmair, Veronika ; Schultz, Lea ; Evers, Saskia...
Journal of Cell Science.  136 (2023)  15 - p. , 2023
Link: https://doi.org/10.1242/..
 
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6

Perspective: a stirring role for metabolism in cells:

Losa, José ; Leupold, Simeon ; Alonso‐Martinez, Diego...
Molecular Systems Biology.  18 (2022)  4 - p. , 2022
Link: https://doi.org/10.15252..
 
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7

Hypothesis-Driven, Structure-Based Design in Photopharmacol..:

Kobauri, Piermichele ; Galenkamp, Nicole S. ; Schulte, Albert M....
Journal of Medicinal Chemistry.  65 (2022)  6 - p. 4798-4817 , 2022
Link: https://doi.org/10.1021/..
 
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8

Photoswitchable, Water‐Soluble Bisazobenzene Cross‐Linkers ..:

Volarić, Jana ; Thallmair, Sebastian ; Feringa, Ben L..
ChemPhotoChem.  6 (2022)  12 - p. , 2022
Link: https://doi.org/10.1002/..
 
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9

Small ionic radii limit time step in Martini 3 molecular dy..:

Fábián, Balázs ; Thallmair, Sebastian ; Hummer, Gerhard
The Journal of Chemical Physics.  157 (2022)  3 - p. , 2022
Link: https://doi.org/10.1063/..
 
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10

Martini 3 Coarse-Grained Model for Type III Deep Eutectic S..:

Vainikka, Petteri ; Thallmair, Sebastian ; Souza, Paulo Cesar Telles.
ACS Sustainable Chemistry & Engineering.  9 (2021)  51 - p. 17338-17350 , 2021
Link: https://doi.org/10.1021/..
 
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11

Computational Prediction of ω-Transaminase Specificity by a..:

Ramírez-Palacios, Carlos ; Wijma, Hein J. ; Thallmair, Sebastian..
Journal of Chemical Information and Modeling.  61 (2021)  11 - p. 5569-5580 , 2021
Link: https://doi.org/10.1021/..
 
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12

Nonconverged Constraints Cause Artificial Temperature Gradi..:

Thallmair, Sebastian ; Javanainen, Matti ; Fábián, Balázs..
The Journal of Physical Chemistry B.  125 (2021)  33 - p. 9537-9546 , 2021
Link: https://doi.org/10.1021/..
 
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13

Running in the Family: Molecular Factors controlling Spin C..:

Schönfeld, Sophie ; Bauer, Wolfgang ; Thallmair, Sebastian..
Zeitschrift für anorganische und allgemeine Chemie.  647 (2021)  8 - p. 905-914 , 2021
Link: https://doi.org/10.1002/..
 
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14

Computational Redesign of an ω-Transaminase from Pseudomona..:

Meng, Qinglong ; Ramírez-Palacios, Carlos ; Capra, Nikolas...
ACS Catalysis.  11 (2021)  17 - p. 10733-10747 , 2021
Link: https://doi.org/10.1021/..
 
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15

Biaryl sulfonamides as cisoid azosteres for photopharmacolo..:

Kobauri, Piermichele ; Szymanski, Wiktor ; Cao, Fangyuan...
Chemical Communications.  57 (2021)  34 - p. 4126-4129 , 2021
Link: https://doi.org/10.1039/..
 
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