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Kokh, Daria B.
135  Ergebnisse:
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1

Oncologic Outcomes for Different Axillary Staging Technique..:

Pfob, André ; Kokh, Daria B. ; Surovtsova, Irina...
Annals of Surgical Oncology.  31 (2024)  7 - p. 4381-4392 , 2024
Link: https://doi.org/10.1245/..
 
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2

Molecular Dynamics Simulations of the Human Ecto-5′-Nucleot..:

Viviani, Lucas G. ; Kokh, Daria B. ; Wade, Rebecca C..
Journal of Chemical Information and Modeling.  63 (2023)  15 - p. 4691-4707 , 2023
Link: https://doi.org/10.1021/..
 
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3

G Protein-Coupled Receptor–Ligand Dissociation Rates and Me..:

Kokh, Daria B. ; Wade, Rebecca C.
Journal of Chemical Theory and Computation.  17 (2021)  10 - p. 6610-6623 , 2021
Link: https://doi.org/10.1021/..
 
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4

Contact Map Fingerprints of Protein–Ligand Unbinding Trajec..:

Bianciotto, Marc ; Gkeka, Paraskevi ; Kokh, Daria B...
Journal of Chemical Theory and Computation.  17 (2021)  10 - p. 6522-6535 , 2021
Link: https://doi.org/10.1021/..
 
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5

A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors fr..:

Gossen, Jonas ; Albani, Simone ; Hanke, Anton...
ACS Pharmacology & Translational Science.  4 (2021)  3 - p. 1079-1095 , 2021
Link: https://doi.org/10.1021/..
 
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6

Brownian Dynamics Simulations of Proteins in the Presence o..:

Reinhardt, Martin ; Bruce, Neil J. ; Kokh, Daria B..
Journal of Chemical Theory and Computation.  17 (2021)  6 - p. 3510-3524 , 2021
Link: https://doi.org/10.1021/..
 
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7

Ligand unbinding mechanisms and kinetics for T4 lysozyme mu..:

Nunes-Alves, Ariane ; Kokh, Daria B. ; Wade, Rebecca C.
Current Research in Structural Biology.  3 (2021)  - p. 106-111 , 2021
Link: https://doi.org/10.1016/..
 
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8

A workflow for exploring ligand dissociation from a macromo..:

Kokh, Daria B. ; Doser, Bernd ; Richter, Stefan...
The Journal of Chemical Physics.  153 (2020)  12 - p. , 2020
Link: https://doi.org/10.1063/..
 
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9

Recent progress in molecular simulation methods for drug bi..:

Nunes-Alves, Ariane ; Kokh, Daria B ; Wade, Rebecca C
Current Opinion in Structural Biology.  64 (2020)  - p. 126-133 , 2020
Link: https://doi.org/10.1016/..
 
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10

Druggability Assessment in TRAPP Using Machine Learning App..:

Yuan, Jui-Hung ; Han, Sungho Bosco ; Richter, Stefan..
Journal of Chemical Information and Modeling.  60 (2020)  3 - p. 1685-1699 , 2020
Link: https://doi.org/10.1021/..
 
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11

Machine Learning Analysis of τRAMD Trajectories to Decipher..:

Kokh, Daria B. ; Kaufmann, Tom ; Kister, Bastian.
Frontiers in Molecular Biosciences.  6 (2019)  - p. , 2019
Link: https://doi.org/10.3389/..
 
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12

New approaches for computing ligand–receptor binding kineti..:

Bruce, Neil J ; Ganotra, Gaurav K ; Kokh, Daria B..
Current Opinion in Structural Biology.  49 (2018)  - p. 1-10 , 2018
Link: https://doi.org/10.1016/..
 
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13

Estimation of Drug-Target Residence Times by τ-Random Accel..:

Kokh, Daria B. ; Amaral, Marta ; Bomke, Joerg...
Journal of Chemical Theory and Computation.  14 (2018)  7 - p. 3859-3869 , 2018
Link: https://doi.org/10.1021/..
 
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14

TRAPP webserver: predicting protein binding site flexibilit..:

Stank, Antonia ; Kokh, Daria B. ; Horn, Max...
Nucleic Acids Research.  45 (2017)  W1 - p. W325-W330 , 2017
Link: https://doi.org/10.1093/..
 
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15

Kinetics for Drug Discovery: an industry-driven effort to t..:

Schuetz, Doris A. ; de Witte, Wilhelmus Egbertus Arnout ; Wong, Yin Cheong...
Drug Discovery Today.  22 (2017)  6 - p. 896-911 , 2017
Link: https://doi.org/10.1016/..
 
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