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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 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
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
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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
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
Machine-learning-based dynamic-importance sampling for adaptive multiscale simulations Bhatia, 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 分享 收藏
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Identification of KRAS membrane bound states using an integrated computational and experimental approach Stephen, Andrew G.; Agarwal, Animesh; Garcia, Angel E.; Gnanakaran, Gnana S.; Hettige, Jeevapani; Neale, Christopher; Travers, Timothy; Bhatia, Harsh; Bremer, Peer-Timo; Carpenter, Tim; Glosli, Jim; Ingolfsson, Helgi; Karande, Piyush; Lightstone, Felice; Oppelstrup, Tomas; Stanton, Liam; Sundram, Shiv; Zhang, Xiaohua; Bhowmik, Debsindhu; Ramanathan, Arvind; Stanley, Christopher; Goswami, Debanjan; Gulten, Gulcin; Jean-Francios, Frantz; Simanshu, Dhirendra; Turbyville, Tommy; Shrestha, Rebika; Que Van; McCormick, Frank; Nissley, Dwight; Streitz, Fred; Agamasu, Constance 分享 收藏
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