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Predicting permeation of compounds across the outer membrane of P. aeruginosa using molecular descriptors Manrique, 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. 分享 收藏
Membrane lipids drive formation of KRAS4b-RAF1 RBDCRD nanoclusters on the membrane (vol 7, 242 , 2024) Shrestha, 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. 分享 收藏
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 Shrestha, 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. 分享 收藏
High throughput analysis of B cell dynamics and neutralizing antibody development during immunization with a novel clade C HIV-1 envelope Mopuri, 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. 分享 收藏
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 Ingolfsson, 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. 分享 收藏
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Acoustic force spectroscopy reveals subtle differences in cellulose unbinding behavior of carbohydrate-binding modules Hackl, 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. 分享 收藏
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 Nguyen, 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 分享 收藏
Molecular insights into antibody-mediated protection against the prototypic simian immunodeficiency virus Zhao, 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 分享 收藏
Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework Lopez, 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 分享 收藏
A neutralizing antibody target in early HIV-1 infection was recapitulated in rhesus macaques immunized with the transmitted/founder envelope sequence Welbourn, 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. 分享 收藏
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 Ingolfsson, 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. 分享 收藏
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Predictive Rules of Efflux Inhibition and Avoidance in Pseudomonas aeruginosa Mehla, 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 分享 收藏