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S. Gnanakaran

Los Alamos National Laboratory

55H指数
304论文数
1.5W被引数
收录论文 40
发表时间
Dynamics and lipid membrane coupling of the RAS-RAF complex revealed via multiscale simulationsRAS-RAF复合物的动力学及与脂质膜的耦合关系通过多尺度模拟揭示
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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Dynamics and activation of membrane-bound B cell receptor assembly
err2025-02-13
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errOAAI
errDo, Hung N.; Zhao, Mingfei; Alam, S. Munir; Gnanakaran, S.
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Influence of membrane on the antigen presentation of the HIV-1 envelope membrane proximal external region (MPER)
err2024-10-01
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PREAI
errLopez, Cesar A.; Alam, S. Munir; Derdeyn, Cynthia A.; Haynes, Barton F.; Gnanakaran, Sandrasegaram
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Predicting permeation of compounds across the outer membrane of P. aeruginosa using molecular descriptors
err2024-04-12
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errOAAI
errManrique, Pedro D.; Leus, Inga V.; Lopez, Cesar A.; Mehla, Jitender; Malloci, Giuliano; Gervasoni, Silvia; Vargiu, Attilio V.; Kinthada, Rama K.; Herndon, Liam; Hengartner, Nicolas W.; Walker, John K.; Rybenkov, Valentin V.; Ruggerone, Paolo; Zgurskaya, Helen I.; Gnanakaran, S.
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Membrane lipids drive formation of KRAS4b-RAF1 RBDCRD nanoclusters on the membrane (vol 7, 242 , 2024)
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膜脂驱动膜上KRAS4b-RAF1 RBDCRD纳米簇的形成
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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High throughput analysis of B cell dynamics and neutralizing antibody development during immunization with a novel clade C HIV-1 envelope
err2023-10-25
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errOAAI
errMopuri, Rohini; Welbourn, Sarah; Charles, Tysheena; Ralli-Jain, Pooja; Rosales, David; Burton, Samantha; Aftab, Areeb; Karunakaran, Kirti; Pellegrini, Kathryn; Kilembe, William; Karita, Etienne; Gnanakaran, Sandrasegaram; Upadhyay, Amit A.; Bosinger, Steven E.; Derdeyn, Cynthia A.
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Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure机器学习驱动的多尺度建模: 用下一代仿真基础设施桥接尺度
err2023-04-19
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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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New understanding of multidrug efflux and permeation in antibiotic resistance, persistence, and heteroresistance
err2022-11-07
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errOAAI
errManrique, Pedro D.; Lopez, Cesar A.; Gnanakaran, S.; Rybenkov, Valentin V.; Zgurskaya, Helen, I
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Acoustic force spectroscopy reveals subtle differences in cellulose unbinding behavior of carbohydrate-binding modules
err2022-10-10
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errOAAI
errHackl, Markus; Contrada, Edward V.; Ash, Jonathan E.; Kulkarni, Atharv; Yoon, Jinho; Cho, Hyeon-Yeol; Lee, Ki-Bum; Yarbrough, John M.; Lopez, Cesar A.; Gnanakaran, Sandrasegaram; Chundawat, Shishir P. S.
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Exploring CRD mobility during RAS/RAF engagement at the membrane在膜上的RAS/RAF接合期间探索CRD迁移率
err2022-10-01
err16
errOAAI
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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Molecular insights into antibody-mediated protection against the prototypic simian immunodeficiency virus
err2022-09-06
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errOAAI
errZhao, Fangzhu; Berndsen, Zachary T.; Pedreno-Lopez, Nuria; Burns, Alison; Allen, Joel D.; Barman, Shawn; Lee, Wen-Hsin; Chakraborty, Srirupa; Gnanakaran, Sandrasegaram; Sewall, Leigh M.; Ozorowski, Gabriel; Limbo, Oliver; Song, Ge; Yong, Peter; Callaghan, Sean; Coppola, Jessica; Weisgrau, Kim L.; Lifson, Jeffrey D.; Nedellec, Rebecca; Voigt, Thomas B.; Laurino, Fernanda; Louw, Johan; Rosen, Brandon C.; Ricciardi, Michael; Crispin, Max; Desrosiers, Ronald C.; Rakasz, Eva G.; Watkins, David I.; Andrabi, Raiees; Ward, Andrew B.; Burton, Dennis R.; Sok, Devin
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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
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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A neutralizing antibody target in early HIV-1 infection was recapitulated in rhesus macaques immunized with the transmitted/founder envelope sequence
err2022-05-03
err2
errOAAI
errWelbourn, Sarah; Chakraborty, Srirupa; Yang, Jie E.; Gleinich, Anne S.; Gangadhara, Sailaja; Khan, Salar; Ferrebee, Courtney; Yagnik, Bhrugu; Burton, Samantha; Charles, Tysheena; Smith, S. Abigail; Williams, Danielle; Mopuri, Rohini; Upadhyay, Amit A.; Thompson, Justin; Price, Matt A.; Wang, Shiyu; Qin, Zhaohui; Shen, Xiaoying; Williams, LaTonya D.; Eisel, Nathan; Peters, Tiffany; Zhang, Lu; Kilembe, William; Karita, Etienne; Tomaras, Georgia D.; Bosinger, Steven E.; Amara, Rama R.; Azadi, Parastoo; Wright, Elizabeth R.; Gnanakaran, Sandrasegaram; Derdeyn, Cynthia A.
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Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins机器学习驱动的多尺度建模揭示了RAS信号蛋白的脂质依赖性动力学
err2022-01-04
err52
errOAAI
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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Exploring the Role of Glycans in the Interaction of SARS-CoV-2 RBD and Human Receptor ACE2探讨聚糖在SARS-CoV-2 RBD与人受体ACE2相互作用中的作用
err2021-05-17
err28
errOAAI
errNguyen, Kien; Chakraborty, Srirupa; Mansbach, Rachael A.; Korber, Bette; Gnanakaran, Sandrasegaram
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The SARS-CoV-2 Spike variant D614G favors an open conformational state
err2021-04-16
err113
errOAAI
errMansbach, Rachael A.; Chakraborty, Srirupa; Nguyen, Kien; Montefiori, David C.; Korber, Bette; Gnanakaran, S.
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Predictive Rules of Efflux Inhibition and Avoidance in Pseudomonas aeruginosa
errMBIO
IF4.7
err2021-02-23
err33
errOAAI
errMehla, Jitender; Malloci, Giuliano; Mansbach, Rachael; Lopez, Cesar A.; Tsivkovski, Ruslan; Haynes, Keith; Leus, Inga, V; Grindstaff, Sally B.; Cascella, Robert H.; D'Cunha, Napoleon; Herndon, Liam; Hengartner, Nicolas W.; Margiotta, Enrico; Atzori, Alessio; Vargiu, Attilio V.; Manrique, Pedro D.; Walker, John K.; Lomovskaya, Olga; Ruggerone, Paolo; Gnanakaran, S.; Rybenkov, Valentin V.; Zgurskaya, Helen, I
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