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Grebner, Christoph
40  Ergebnisse:
Personensuche X
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1

Task‐Similarity is a Crucial Factor for Few‐Shot Meta‐Learn..:

Kötter, Alex ; Allenspach, Stephan ; Grebner, Christoph...
ChemBioChem.  , 2024
Link: https://doi.org/10.1002/..
 
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2

Modern machine‐learning for binding affinity estimation of ..:

Harren, Tobias ; Gutermuth, Torben ; Grebner, Christoph..
WIREs Computational Molecular Science.  14 (2024)  3 - p. , 2024
Link: https://doi.org/10.1002/..
 
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3

Integrating Reaction Schemes, Reagent Databases, and Virtua..:

Sauer, Susanne ; Matter, Hans ; Hessler, Gerhard.
Journal of Chemical Information and Modeling.  63 (2023)  18 - p. 5709-5726 , 2023
Link: https://doi.org/10.1021/..
 
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4

Impact of Applicability Domains to Generative Artificial In..:

Langevin, Maxime ; Grebner, Christoph ; Güssregen, Stefan...
ACS Omega.  8 (2023)  25 - p. 23148-23167 , 2023
Link: https://doi.org/10.1021/..
 
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5

Interpretation of Structure–Activity Relationships in Real-..:

Harren, Tobias ; Matter, Hans ; Hessler, Gerhard..
Journal of Chemical Information and Modeling.  62 (2022)  3 - p. 447-462 , 2022
Link: https://doi.org/10.1021/..
 
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6

Optimizing interactions to protein binding sites by integra..:

Sauer, Susanne ; Matter, Hans ; Hessler, Gerhard.
Frontiers in Chemistry.  10 (2022)  - p. , 2022
Link: https://doi.org/10.3389/..
 
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7

Application of Deep Neural Network Models in Drug Discovery..:

Grebner, Christoph ; Matter, Hans ; Kofink, Daniel...
ChemMedChem.  16 (2021)  24 - p. 3772-3786 , 2021
Link: https://doi.org/10.1002/..
 
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8

Automated De Novo Design in Medicinal Chemistry: Which Type..:

Grebner, Christoph ; Matter, Hans ; Plowright, Alleyn T..
Journal of Medicinal Chemistry.  63 (2020)  16 - p. 8809-8823 , 2020
Link: https://doi.org/10.1021/..
 
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9

PELE-MSM: A Monte Carlo Based Protocol for the Estimation o..:

Gilabert, Joan F. ; Grebner, Christoph ; Soler, Daniel...
Journal of Chemical Theory and Computation.  15 (2019)  11 - p. 6243-6253 , 2019
Link: https://doi.org/10.1021/..
 
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10

Virtual Screening in the Cloud: How Big Is Big Enough?:

Grebner, Christoph ; Malmerberg, Erik ; Shewmaker, Andrew...
Journal of Chemical Information and Modeling.  60 (2019)  9 - p. 4274-4282 , 2019
Link: https://doi.org/10.1021/..
 
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11

Structural insight into allosteric modulation of protease-a..:

Cheng, Robert K. Y. ; Fiez-Vandal, Cédric ; Schlenker, Oliver...
Nature.  545 (2017)  7652 - p. 112-115 , 2017
Link: https://doi.org/10.1038/..
 
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12

Binding Mode and Induced Fit Predictions for Prospective Co..:

Grebner, Christoph ; Iegre, Jessica ; Ulander, Johan...
Journal of Chemical Information and Modeling.  56 (2016)  4 - p. 774-787 , 2016
Link: https://doi.org/10.1021/..
 
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13

Enhancing backbone sampling in Monte Carlo simulations usin..:

Gil, Victor A. ; Lecina, Daniel ; Grebner, Christoph.
Bioorganic & Medicinal Chemistry.  24 (2016)  20 - p. 4855-4866 , 2016
Link: https://doi.org/10.1016/..
 
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14

3D-Lab: A Collaborative Web-Based Platform for Molecular Mo..:

Grebner, Christoph ; Norrby, Magnus ; Enström, Jonatan...
Future Medicinal Chemistry.  8 (2016)  14 - p. 1739-1752 , 2016
Link: https://doi.org/10.4155/..
 
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15

Molecular Rift: Virtual Reality for Drug Designers:

Norrby, Magnus ; Grebner, Christoph ; Eriksson, Joakim.
Journal of Chemical Information and Modeling.  55 (2015)  11 - p. 2475-2484 , 2015
Link: https://doi.org/10.1021/..
 
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