E-LIB Suche - Ergebnisse für: Olsson, Simon

1

Generation of conformational ensembles of small molecules v..:

Viguera Diez, Juan ; Romeo Atance, Sara ; Engkvist, Ola.
Machine Learning: Science and Technology. 5 (2024) 2 - p. 025010 , 2024

Link: https://doi.org/10.1088/..

2

AI Tool for Exploring How Economic Activities Impact Local ..:

, In: Lecture Notes in Networks and Systems; Intelligent Systems and Applications,

Strannegård, Claes ; Engsner, Niklas ; Lindgren, Rasmus.. - p. 690-709 , 2024

Link: https://doi.org/10.1007/..

3

A design strategy to generate a SARS‐CoV‐2 RBD vaccine that..:

Ratswohl, Christoph ; Vázquez García, Clara ; Ahmad, Ata ul Wakeel...
European Journal of Immunology. 53 (2023) 10 - p. , 2023

Link: https://doi.org/10.1002/..

4

Vendi sampling for molecular simulations: Diversity as a fo..:

Pasarkar, Amey P. ; Bencomo, Gianluca M. ; Olsson, Simon.
The Journal of Chemical Physics. 159 (2023) 14 - p. , 2023

Link: https://doi.org/10.1063/..

5

A community effort in SARS‐CoV‐2 drug discovery:

Schimunek, Johannes ; Seidl, Philipp ; Elez, Katarina...
Molecular Informatics. 43 (2023) 1 - p. , 2023

Link: https://doi.org/10.1002/..

6

Rescuing off-equilibrium simulation data through dynamic ex..:

Kolloff, Christopher ; Olsson, Simon
Machine Learning: Science and Technology. 4 (2023) 4 - p. 045050 , 2023

Link: https://doi.org/10.1088/..

7

Markov field models: Scaling molecular kinetics approaches ..:

Hempel, Tim ; Olsson, Simon ; Noé, Frank
Current Opinion in Structural Biology. 77 (2022) - p. 102458 , 2022

Link: https://doi.org/10.1016/..

8

Motional clustering in supra-τc conformational exchange inf..:

Kolloff, Christopher ; Mazur, Adam ; Marzinek, Jan K....
Journal of Magnetic Resonance. 338 (2022) - p. 107196 , 2022

Link: https://doi.org/10.1016/..

9

Prediction of the Chemical Context for Buchwald‐Hartwig Cou..:

Genheden, Samuel ; Mårdh, Agnes ; Lahti, Gustav...
Molecular Informatics. 41 (2022) 8 - p. , 2022

Link: https://doi.org/10.1002/..

10

De Novo Drug Design Using Reinforcement Learning with Graph..:

Atance, Sara Romeo ; Diez, Juan Viguera ; Engkvist, Ola..
Journal of Chemical Information and Modeling. 62 (2022) 20 - p. 4863-4872 , 2022

Link: https://doi.org/10.1021/..

11

Ecosystem Models Based on Artificial Intelligence:

, In: 2022 Swedish Artificial Intelligence Society Workshop (SAIS),

Strannegard, Claes ; Engsner, Niklas ; Eisfeldt, Jesper... - p. 1-9 , 2022

Link: https://doi.org/10.1109/..

12

A litmus test for classifying recognition mechanisms of tra..:

Chakrabarti, Kalyan S. ; Olsson, Simon ; Pratihar, Supriya...
Nature Communications. 13 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

13

Discovery of a hidden transient state in all bromodomain fa..:

Raich, Lluís ; Meier, Katharina ; Günther, Judith...
Proceedings of the National Academy of Sciences. 118 (2021) 4 - p. , 2021

Link: https://doi.org/10.1073/..

14

Multi-body effects in a coarse-grained protein force field:

Wang, Jiang ; Charron, Nicholas ; Husic, Brooke...
The Journal of Chemical Physics. 154 (2021) 16 - p. , 2021

Link: https://doi.org/10.1063/..

15

Camostat mesylate inhibits SARS-CoV-2 activation by TMPRSS2..:

Hoffmann, Markus ; Hofmann-Winkler, Heike ; Smith, Joan C....
EBioMedicine. 65 (2021) - p. 103255 , 2021

Link: https://doi.org/10.1016/..