Ingólfsson, Helgi I.
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5

Computationally Designed Molecules Modulate ALS-Related Amy..:

Liu, Xikun ; Duan, Shuya ; Jin, Yingying...
ACS Chemical Neuroscience.  14 (2023)  24 - p. 4395-4408 , 2023
 
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Machine Learning-Driven Multiscale Modeling: Bridging the S..:

Ingólfsson, Helgi I. ; Bhatia, Harsh ; Aydin, Fikret...
Journal of Chemical Theory and Computation.  19 (2023)  9 - p. 2658-2675 , 2023
 
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11

The confluence of machine learning and multiscale simulatio..:

Bhatia, Harsh ; Aydin, Fikret ; Carpenter, Timothy S....
Current Opinion in Structural Biology.  80 (2023)  - p. 102569 , 2023
 
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A biology-informed similarity metric for simulated patches ..:

Bhatia, Harsh ; Thiagarajan, Jayaraman J ; Anirudh, Rushil...
Machine Learning: Science and Technology.  3 (2022)  3 - p. 035010 , 2022
 
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14

Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grai..:

López, Cesar A. ; Zhang, Xiaohua ; Aydin, Fikret...
Journal of Chemical Theory and Computation.  18 (2022)  8 - p. 5025-5045 , 2022
 
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