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Chris Neale

Los Alamos National Laboratory

28H-index
79Paper Count
2.8KCitation Count
Published Papers 39
Publication Date
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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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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Monatomic ions influence substrate permeation across bacterial microcompartment shells
err2023-09-21
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errOAAI
errTrettel, Daniel S.; Neale, Chris; Zhao, Mingfei; Gnanakaran, S.; Gonzalez-Esquer, C. Raul
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Intermediate-state-trapped mutants pinpoint G protein-coupled receptor conformational allostery
err2023-03-10
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errOAAI
errWang, Xudong; Neale, Chris; Kim, Soo-Kyung; Goddard, William A., III; Ye, Libin
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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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Drug Discovery by Automated Adaptation of Chemical Structure and Identity
err2022-07-14
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PREAI
errPatel, Lara A.; Chau, Phuong; Debesai, Serena; Darwin, Leah; Neale, Chris
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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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Machine-learning-based dynamic-importance sampling for adaptive multiscale simulations
err2021-04-22
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errBhatia, Harsh; Carpenter, Timothy S.; Ingolfsson, Helgi I.; Dharuman, Gautham; Karande, Piyush; Liu, Shusen; Oppelstrup, Tomas; Neale, Chris; Lightstone, Felice C.; Van Essen, Brian; Glosli, James N.; Bremer, Peer-Timo
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Ligand modulation of the conformational dynamics of the A2A adenosine receptor revealed by single-molecule fluorescence
err2021-03-15
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errFernandes, Dennis D.; Neale, Chris; Gomes, Gregory-Neal W.; Li, Yuchong; Malik, Aimen; Pandey, Aditya; Orazietti, Alexander P.; Wang, Xudong; Ye, Libin; Prosser, R. Scott; Gradinaru, Claudiu C.
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KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation
err2021-02-19
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errTran, Timothy H.; Chan, Albert H.; Young, Lucy C.; Bindu, Lakshman; Neale, Chris; Messing, Simon; Dharmaiah, Srisathiyanarayanan; Taylor, Troy; Denson, John-Paul; Esposito, Dominic; Nissley, Dwight V.; Stephen, Andrew G.; McCormick, Frank; Simanshu, Dhirendra K.
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The Influence of Periodic Size Effects and Membrane Undulation on Phase Separation in a DPPC/DOPC/Chol Coarse Grain Martini System
err2019-02-01
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errCarpenter, Timothy S.; Ingolfsson, Helgi I.; Lopez, Cesar; Neale, Chris; Gnanakaran, Sandrasegaram; Lightstone, Felice C.
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Capturing Phase Behavior of Ternary Lipid Mixtures with a Refined Martini Coarse-Grained Force Field
err2018-09-25
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errOAAI
errCarpenter, Timothy S.; Lopez, Cesar A.; Neale, Chris; Montour, Cameron; Ingolfsson, Helgi I.; Di Natale, Francesco; Lightstone, Felice C.; Gnanakaran, S.
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Molecular recognition of RAS/RAF complex at the membrane: Role of RAF cysteine-rich domain
err2018-05-31
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errTravers, Timothy; Lopez, Cesar A.; Van, Que N.; Neale, Chris; Tonelli, Marco; Stephen, Andrew G.; Gnanakaran, S.
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Mechanistic insights into allosteric regulation of the A2A adenosine G protein-coupled receptor by physiological cations
err2018-04-10
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errYe, Libin; Neale, Chris; Sljoka, Adnan; Lyda, Brent; Pichugin, Dmitry; Tsuchimura, Nobuyuki; Larda, Sacha T.; Pomes, Regis; Garcia, Angel E.; Ernst, Oliver P.; Sunahara, Roger K.; Prosser, R. Scott
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Accurate Phase Separation of Complex Lipid Mixtures (DPPC/DOPC/CHOL) with a Refined Coarse Grained Martini Model
err2018-02-01
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errOAAI
errCarpenter, Timothy S.; Lopez, Cesar A.; Neale, Chris; Ingolfsson, Helgi I.; Montour, Cameron; Gnanakaran, Sandrasegaram; Lightstone, Felice C.
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Protein Folding upon Binding Revealed by Molecular Dynamics Simulation
err2017-02-01
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errOAAI
errNeale, Chris; Pomes, Regis; Sterne-Marr, Rachel; Garcia, Angel
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