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Timothy S. Carpenter

lawrence livermore national laboratory

24H-index
95Paper Count
2.3KCitation Count
Published Papers 50
Publication Date
Free Energy and Flexibility Analysis of Autoinhibited Human BRAF
err2026-04-21
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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
err2026-02-04
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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
err2025-10-22
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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
err2025-08-22
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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
err2025-05-08
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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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Highly tail-asymmetric lipids interdigitate and cause bidirectional ordering
err2025-05-01
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errOzturk, Tugba N.; Ferron, Thomas J.; He, Wei; Schwarz, Benjamin; Weiss, Thomas M.; Fischer, Nicholas O.; Rasley, Amy; Carpenter, Timothy S.; Bosio, Catharine M.; Ingolfsson, Helgi I.
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Anisotropic interactions for continuum modeling of protein-membrane systems
err2024-12-31
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errOAAI
errOppelstrup, T.; Stanton, L. G.; Tempkin, J. O. B.; Ozturk, T. N.; Ingolfsson, H. I.; Carpenter, T. S.
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Generating Protein Structures for Pathway Discovery Using Deep Learning
err2024-10-10
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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)
err2024-04-11
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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
err2024-02-28
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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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Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery
err2023-10-25
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errBernardi, Austen; Bennett, W. F. Drew; He, Stewart; Jones, Derek; Kirshner, Dan; Bennion, Brian J.; Carpenter, Timothy S.
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Martini 3 Coarse-Grained Force Field for Cholesterol
err2023-10-05
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errBorges-Araujo, Luis; Borges-Araujo, Ana C.; Ozturk, Tugba Nur; Ramirez-Echemendia, Daniel P.; Fabian, Balazs; Carpenter, Timothy S.; Thallmair, Sebastian; Barnoud, Jonathan; Ingolfsson, Helgi I.; Hummer, Gerhard; Tieleman, D. Peter; Marrink, Siewert J.; Souza, Paulo C. T.; Melo, Manuel N.
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The confluence of machine learning and multiscale simulations
err2023-06-01
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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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Dynamics and lipid interactions of the RAS-RBD-CRD protein complex
err2023-05-01
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PREAI
errLightstone, Felice C.; Carpenter, Timothy S.
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Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure
err2023-04-19
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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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Dynamic density functional theory of multicomponent cellular membranes
err2023-02-06
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errStanton, L. G.; Oppelstrup, T.; Carpenter, T. S.; Ingolfsson, H. I.; Surh, M. P.; Lightstone, F. C.; Glosli, J. N.
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Exploring CRD mobility during RAS/RAF engagement at the membrane
err2022-10-01
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errNguyen, Kien; Lopez, Cesar A.; Neale, Chris; Van, Que N.; Carpenter, Timothy S.; Di Natale, Francesco; Travers, Timothy; Tran, Timothy H.; Chan, Albert H.; Bhatia, Harsh; Frank, Peter H.; Tonelli, Marco; Zhang, Xiaohua; Gulten, Gulcin; Reddy, Tyler; Burns, Violetta; Oppelstrup, Tomas; Hengartner, Nick; Simanshu, Dhirendra K.; Bremer, Peer-Timo; Chen, De; Glosli, James N.; Shrestha, Rebika; Turbyville, Thomas; Streitz, Frederick H.; Nissley, Dwight V.; Ingolfsson, Helgi I.; Stephen, Andrew G.; Lightstone, Felice C.; Gnanakaran, Sandrasegaram
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Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework
err2022-07-22
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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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Biophysical Characterization of Membrane Proteins Embedded in Nanodiscs Using Fluorescence Correlation Spectroscopy
err2022-03-31
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errOAAI
errLaurence, Matthew J.; Carpenter, Timothy S.; Laurence, Ted A.; Coleman, Matthew A.; Shelby, Megan; Liu, Chao
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Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins
err2022-01-04
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errIngolfsson, Helgi I.; Neale, Chris; Carpenter, Timothy S.; Shrestha, Rebika; Lopez, Cesar A.; Tran, Timothy H.; Oppelstrup, Tomas; Bhatia, Harsh; Stanton, Liam G.; Zhang, Xiaohua; Sundram, Shiv; Di Natale, Francesco; Agarwal, Animesh; Dharuman, Gautham; Schumacher, Sara I. L. Kokkila; Turbyville, Thomas; Gulten, Gulcin; Van, Que N.; Goswami, Debanjan; Jean-Francois, Frantz; Agamasu, Constance; Chen, De; Hettige, Jeevapani J.; Travers, Timothy; Sarkar, Sumantra; Surh, Michael P.; Yang, Yue; Moody, Adam; Liu, Shusen; Van Essen, Brian C.; Voter, Arthur F.; Ramanathan, Arvind; Hengartner, Nicolas W.; Simanshu, Dhirendra K.; Stephen, Andrew G.; Bremer, Peer-Timo; Gnanakaran, S.; Glosli, James N.; Lightstone, Felice C.; McCormick, Frank; Nissley, Dwight, V; Streitz, Frederick H.
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