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F

Fikret Aydin

lawrence livermore national laboratory

19H-index
89Paper Count
1.2KCitation Count
Published Papers 38
Publication Date
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Free Energy and Flexibility Analysis of Autoinhibited Human BRAF
errJournal of Chemical Information and Modeling
IF5.3
err2026-04-21
err0
errOAAI
errJeremy O. B. Tempkin; Fikret Aydin; Sebnem Essiz; Yue Yang; Timothy S. Carpenter; David E. Durrant; Deborah K. Morrison; Helgi I. Ingólfsson; Frederick H. Streitz; Dwight V. Nissely; Felice C. Lightstone; Xiaohua Zhang
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KRAS4a and KRAS4b show distinct lipid-dependent regulation of RAS-RAF membrane dynamics
errJournal of Biological Chemistry
IF3.9
err2026-02-04
err0
errOAAI
errKonstantia Georgouli; Jeremy O.B. Tempkin; Liam G. Stanton; Tomas Oppelstrup; Rebika Shrestha; Timothy S. Carpenter; Fikret Aydin; Xiaohua Zhang; Harsh Bhatia; Yue Yang; Que N. Van; Pedro Andrade Bonilla; Gulcin Gulten; Debanjan Goswami; Francesco Di Natale; Joseph R. Chavez; Joseph Y. Moon; Gautham Dharuman; Nicolas W. Hengartner; Dhirendra K. Simanshu
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Integrating Ultra-Coarse-Grained Protein Models into Accessible Workflows for Multiscale Molecular Dynamics
errACS Omega
IF4.3
err2025-10-22
err0
errOAAI
errBryce Tu Chi; Stephanie Fulcar; Jonathan Ipe; Olivia Schleifer; Rohan Subramanian; Claire Vlases; Naim Matasci; Konstantia Georgouli; Loïc Pottier; Tim Hsu; Timothy S. Carpenter; Dwight V. Nissley; Felice C. Lightstone; Frederick H. Streitz; Helgi I. Ingólfsson; Fikret Aydin
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Dynamics and lipid membrane coupling of the RAS-RAF complex revealed via multiscale simulations
errBiophysical Journal
IF3.1
err2025-08-22
err0
errOAAI
errTimothy S. Carpenter; Fikret Aydin; Chris Neale; Que N. Van; Xiaohua Zhang; Harsh Bhatia; Jason W. Sidabras; Peter H. Frank; Konstantia Georgouli; Jeremy O.B. Tempkin; Violeta Burns Casamayor; Gulcin Gulten; Rebika Shrestha; Debanjan Goswami; Francesco Di Natale; Joseph R. Chavez; Adam Moody; Joseph Y. Moon; Tomas Oppelstrup; James N. Glosli; Gautham Dharuman; Sergio Wong; Shusen Liu; Nicolas W. Hengartner; Cesar A. López; Kien Nguyen; Christopher B. Stanley; Liam G. Stanton; Lara Patel; Tyler Reddy; Thomas J. Turbyville; Brian Van Essen; Peer-Timo Bremer; Felice C. Lightstone; Andrew G. Stephen; Sandrasegaram Gnanakaran; Frank McCormick; Dwight V. Nissley; Frederick H. Streitz; Helgi I. Ingólfsson
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Enhanced Exploration of Protein Conformational Space through Integration of Ultra-Coarse-Grained Models to Multiscale Workflows
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-05-08
err0
errOAAI
errAydin, Fikret; Georgouli, Konstantia; Pottier, Loic; Oppelstrup, Tomas; Carpenter, Timothy S.; Tempkin, Jeremy O. B.; Bremer, Peer-Timo; Nissley, Dwight V.; Streitz, Frederick H.; Lightstone, Felice C.; Ingolfsson, Helgi I.
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Mechanisms and effects of gas intercalation into ionic liquids confined within charged nanoscale volumes
errNANOSCALE
IF5.1
err2025-01-01
err0
errOAAI
errAydin, Fikret; Abelson, Alex; Weitzner, Stephen E.; Fornasiero, Francesco; Pham, Tuan Anh; Meshot, Eric R.; Buchsbaum, Steven F.
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Spectroscopy-guided discovery of three-dimensional structures of disordered materials with diffusion models
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-11-11
err1
errOAAI
errKwon, Hyuna; Hsu, Tim; Sun, Wenyu; Jeong, Wonseok; Aydin, Fikret; Chapman, James; Chen, Xiao; Lordi, Vincenzo; Carbone, Matthew R.; Lu, Deyu; Zhou, Fei; Pham, Tuan Anh
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Nanobubble Formation and Coverage during High Current Density Alkaline Water Electrolysis
errNANO LETTERS
IF9.1
err2024-10-16
err0
PREAI
errHammons, Joshua A.; Kang, Shinyoung; Ferron, Thomas J.; Aydin, Fikret; Lin, Tiras Y.; Seung, Kansas; Chow, Paul; Xiao, Yuming; Davis, Jonathan T.
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Generating Protein Structures for Pathway Discovery Using Deep Learning
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-10
err0
errOAAI
errGeorgouli, Konstantia; Stephany, Robert R.; Tempkin, Jeremy O. B.; Santiago, Claudio; Aydin, Fikret; Heimann, Mark A.; Pottier, Loic; Zhang, Xiaohua; Carpenter, Timothy S.; Hsu, Tim; Nissley, Dwight V.; Streitz, Frederick H.; Lightstone, Felice C.; Ingolfsson, Helgi I.; Bremer, Peer-Timo
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Membrane lipids drive formation of KRAS4b-RAF1 RBDCRD nanoclusters on the membrane (vol 7, 242 , 2024)
errCOMMUNICATIONS BIOLOGY
IF5.1
err2024-04-11
err0
errOAAI
errShrestha, Rebika; Carpenter, Timothy S.; Van, Que N.; Agamasu, Constance; Tonelli, Marco; Aydin, Fikret; Chen, De; Gulten, Gulcin; Glosli, James N.; Lopez, Cesar A.; Oppelstrup, Tomas; Neale, Chris; Gnanakaran, Sandrasegaram; Gillette, William K.; Ingolfsson, Helgi I.; Lightstone, Felice C.; Stephen, Andrew G.; Streitz, Frederick H.; Nissley, Dwight V.; Turbyville, Thomas J.
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Membrane lipids drive formation of KRAS4b-RAF1 RBDCRD nanoclusters on the membrane
errCOMMUNICATIONS BIOLOGY
IF5.1
err2024-02-28
err8
errOAAI
errShrestha, Rebika; Carpenter, Timothy S.; Van, Que N.; Agamasu, Constance; Tonelli, Marco; Aydin, Fikret; Chen, De; Gulten, Gulcin; Glosli, James N.; Lopez, Cesar A.; Oppelstrup, Tomas; Neale, Chris; Gnanakaran, Sandrasegaram; Gillette, William K.; Ingolfsson, Helgi I.; Lightstone, Felice C.; Stephen, Andrew G.; Streitz, Frederick H.; Nissley, Dwight V.; Turbyville, Thomas J.
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Harnessing Neural Networks for Elucidating X-ray Absorption Structure-Spectrum Relationships in Amorphous Carbon
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-08-15
err10
errOAAI
errKwon, Hyuna; Sun, Wenyu; Hsu, Tim; Jeong, Wonseok; Aydin, Fikret; Sharma, Shubham; Meng, Fanchen; Carbone, Matthew R.; Chen, Xiao; Lu, Deyu; Wan, Liwen F.; Nielsen, Michael H.; Pham, Tuan Anh
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The confluence of machine learning and multiscale simulations
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2023-06-01
err8
errOAAI
errBhatia, Harsh; Aydin, Fikret; Carpenter, Timothy S.; Lightstone, Felice C.; Bremer, Peer-Timo; Ingolfsson, Helgi I.; V. Nissley, Dwight; Streitz, Frederick H.
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Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-04-19
err18
errOAAI
errIngolfsson, Helgi I.; Bhatia, Harsh; Aydin, Fikret; Oppelstrup, Tomas; Lopez, Cesar A.; Stanton, Liam G.; Carpenter, Timothy S.; Wong, Sergio; Di Natale, Francesco; Zhang, Xiaohua; Moon, Joseph Y.; Stanley, Christopher B.; Chavez, Joseph R.; Nguyen, Kien; Dharuman, Gautham; Burns, Violetta; Shrestha, Rebika; Goswami, Debanjan; Gulten, Gulcin; Van, Que N.; Ramanathan, Arvind; Van Essen, Brian; Hengartner, Nicolas W.; Stephen, Andrew G.; Turbyville, Thomas; Bremer, Peer-Timo; Gnanakaran, S.; Glosli, James N.; Lightstone, Felice C.; Nissley, Dwight V.; Streitz, Frederick H.
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Mechanistic Insights on Permeation of Water over Iron Cations in Nanoporous Silicon Oxide Films for Selective H2 and O2 Evolution
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2023-03-28
err6
errOAAI
errAydin, Fikret; Andrade, Marcos F. Calegari; Stinson, Robert S.; Zagalskaya, Alexandra; Schwalbe-Koda, Daniel; Chen, Zejie; Sharma, Shubham; Maiti, Amitesh; Esposito, Daniel V.; Ardo, Shane; Pham, Tuan Anh; Ogitsu, Tadashi
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Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-07-22
err8
errOAAI
errLopez, Cesar A.; Zhang, Xiaohua; Aydin, Fikret; Shrestha, Rebika; Van, Que N.; Stanley, Christopher B.; Carpenter, Timothy S.; Nguyen, Kien; Patel, Lara A.; Chen, De; Burns, Violetta; Hengartner, Nicolas W.; Reddy, Tyler J. E.; Bhatia, Harsh; Di Natale, Francesco; Tran, Timothy H.; Chan, Albert H.; Simanshu, Dhirendra K.; V. Nissley, Dwight; Streitz, Frederick H.; Stephen, Andrew G.; Turbyville, Thomas J.; Lightstone, Felice C.; Gnanakaran, Sandrasegaram; Ingolfsson, Helgi I.; Neale, Chris
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Rectified and Salt Concentration Dependent Wetting of Hydrophobic Nanopores
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-06-21
err13
errOAAI
errPolster, Jake W.; Aydin, Fikret; de Souza, J. Pedro; Bazant, Martin Z.; Pham, Tuan Anh; Siwy, Zuzanna S.
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Improving the accuracy and convergence of drug permeation simulations via machine-learned collective variables
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-07-26
err10
PREAI
errAydin, Fikret; Durumeric, Aleksander E. P.; da Hora, Gabriel C. A.; Nguyen, John D. M.; Oh, Myong In; Swanson, Jessica M. J.
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Confinement effects on the solvation structure of solvated alkaline metal cations in a single-digit 1T-MoS2 nanochannel: A first-principles study (vol 154, 164706, 2021)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-05-27
err0
PREAI
errZhan, Cheng; Sun, Yangyunli; Aydin, Fikret; Wang, Y. Morris; Tuan Anh Pham
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Unraveling the Ion Adsorption Kinetics in Microporous Carbon Electrodes: A Multiscale Quantum-Continuum Simulation and Experimental Approach
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2021-05-12
err5
errOAAI
errOyarzun, Diego, I; Zhan, Cheng; Hawks, Steven A.; Ceron, Maira R.; Kuo, Helen A.; Loeb, Colin K.; Aydin, Fikret; Pham, Tuan Anh; Stadermann, Michael; Campbell, Patrick G.
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Research Directions

No research directions
Co-authors
Cooperation Journals
M
Menachem Elimelech
H-index: 198 · Papers: 735
F
Frank McCormick
H-index: 130 · Papers: 786
T
Thomas D. Pollard
H-index: 123 · Papers: 442
G
Gregory A. Voth
H-index: 114 · Papers: 985
陈曦 cover
陈曦 (Xi Chen)
H-index: 113 · Papers: 2.3K
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