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Experimental Biology and Medicine (Maywood, N.J.)|November 29, 2021
Complement component 3 mutations alter the longitudinal risk of pediatric malaria and severe malarial anemiaEvans Raballah, Samuel B Anyona, Qiuying Cheng, et al.
Mbio|January 20, 2021
Predictive Rules of Efflux Inhibition and Avoidance in Pseudomonas aeruginosaJitender Mehla, Giuliano Malloci, Rachael Mansbach, et al.
Scientific Reports|January 20, 2024
High dimensional predictions of suicide risk in 4.2 million US Veterans using ensemble transfer learningSayera Dhaubhadel, Kumkum Ganguly, Ruy M Ribeiro, et al.
Journal of Chemical Theory and Computation|July 22, 2022
Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale FrameworkCesar A López, Xiaohua Zhang, Fikret Aydin, et al.
Proceedings of the National Academy of Sciences of the United States of America|September 11, 2020
Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membraneQue N Van, Cesar A López, Marco Tonelli, et al.
Journal of Chemical Theory and Computation|April 19, 2023
Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation InfrastructureHelgi I Ingólfsson, Harsh Bhatia, Fikret Aydin, et al.
The Journal of Biological Chemistry|February 6, 2026
KRAS4a and KRAS4b show distinct lipid-dependent regulation of RAS-RAF membrane dynamicsKonstantia Georgouli, Jeremy O B Tempkin, Liam G Stanton, et al.
Biophysical Journal|August 24, 2025
Dynamics and lipid membrane coupling of the RAS-RAF complex revealed via multiscale simulationsTimothy S Carpenter, Fikret Aydin, Chris Neale, et al.
Proceedings of the National Academy of Sciences of the United States of America|January 5, 2022
Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteinsHelgi I Ingólfsson, Chris Neale, Timothy S Carpenter, et al.
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