1 code implementation • 9 Dec 2023 • Hyuna Kwon, Tim Hsu, Wenyu Sun, Wonseok Jeong, Fikret Aydin, James Chapman, Xiao Chen, Matthew R. Carbone, Deyu Lu, Fei Zhou, Tuan Anh Pham
In this work, we introduce a new framework based on the diffusion model, a recent generative machine learning method to predict 3D structures of disordered materials from a target property.
no code implementations • 14 Jul 2022 • Fikret Aydin, Konstantia Georgouli, Gautham Dharuman, James N. Glosli, Felice C. Lightstone, Helgi I. Ingólfsson, Peer-Timo Bremer, Harsh Bhatia
Improved understanding of the relation between the behavior of RAS and RAF proteins and the local lipid environment in the cell membrane is critical for getting insights into the mechanisms underlying cancer formation.
no code implementations • 9 Jul 2022 • Konstantia Georgouli, Helgi I Ingólfsson, Fikret Aydin, Mark Heimann, Felice C Lightstone, Peer-Timo Bremer, Harsh Bhatia
Capturing intricate biological phenomena often requires multiscale modeling where coarse and inexpensive models are developed using limited components of expensive and high-fidelity models.