日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Molecular simulations reveal intricate coupling between agonist-bound β-adrenergic receptors and G protein

分子模拟揭示了激动剂结合的β-肾上腺素能受体与G蛋白之间复杂的耦合关系。

Han, Yanxiao; Dawson, John R D; DeMarco, Kevin R; Rouen, Kyle C; Ngo, Khoa; Bekker, Slava; Yarov-Yarovoy, Vladimir; Clancy, Colleen E; Xiang, Yang K; Ahn, Surl-Hee; Vorobyov, Igor

Ancestral evolution of oxidase activity in a class of (S)-nicotine and (S)-6-hydroxynicotine-degrading flavoenzymes

一类降解(S)-尼古丁和(S)-6-羟基尼古丁的黄素酶中氧化酶活性的祖先演化

Zhang, Zhiyao; Bandivadekar, Parth R; Gaunt, Andrew J; Ahn, Surl-Hee; Barkman, Todd J; Stull, Frederick

Simulation-driven design of stabilized SARS-CoV-2 spike S2 immunogens

稳定化 SARS-CoV-2 刺突 S2 免疫原的仿真驱动设计

Xandra Nuqui #, Lorenzo Casalino #, Ling Zhou, Mohamed Shehata, Albert Wang, Alexandra L Tse, Anupam A Ojha, Fiona L Kearns, Mia A Rosenfeld, Emily Happy Miller, Cory M Acreman, Surl-Hee Ahn, Kartik Chandran, Jason S McLellan, Rommie E Amaro

Stability and Dynamics of Zeolite-Confined Gold Nanoclusters

沸石限域金纳米团簇的稳定性和动力学

Sonti, Siddharth; Sun, Chenghan; Chen, Zekun; Kowalski, Robert Michael; Kowalski, Joseph S; Donadio, Davide; Ahn, Surl-Hee; Kulkarni, Ambarish R

Elucidating molecular mechanisms of protoxin-II state-specific binding to the human NaV1.7 channel

阐明原毒素 II 与人 NaV1.7 通道状态特异性结合的分子机制

Ngo, Khoa; Lopez Mateos, Diego; Han, Yanxiao; Rouen, Kyle C; Ahn, Surl-Hee; Wulff, Heike; Clancy, Colleen E; Yarov-Yarovoy, Vladimir; Vorobyov, Igor

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol

#COVIDisAirborne:利用人工智能技术对呼吸道气溶胶中的 SARS-CoV-2 进行多尺度计算显微镜成像

Dommer, Abigail; Casalino, Lorenzo; Kearns, Fiona; Rosenfeld, Mia; Wauer, Nicholas; Ahn, Surl-Hee; Russo, John; Oliveira, Sofia; Morris, Clare; Bogetti, Anthony; Trifan, Anda; Brace, Alexander; Sztain, Terra; Clyde, Austin; Ma, Heng; Chennubhotla, Chakra; Lee, Hyungro; Turilli, Matteo; Khalid, Syma; Tamayo-Mendoza, Teresa; Welborn, Matthew; Christensen, Anders; Smith, Daniel Ga; Qiao, Zhuoran; Sirumalla, Sai K; O'Connor, Michael; Manby, Frederick; Anandkumar, Anima; Hardy, David; Phillips, James; Stern, Abraham; Romero, Josh; Clark, David; Dorrell, Mitchell; Maiden, Tom; Huang, Lei; McCalpin, John; Woods, Christopher; Gray, Alan; Williams, Matt; Barker, Bryan; Rajapaksha, Harinda; Pitts, Richard; Gibbs, Tom; Stone, John; Zuckerman, Daniel M; Mulholland, Adrian J; Miller, Thomas 3rd; Jha, Shantenu; Ramanathan, Arvind; Chong, Lillian; Amaro, Rommie E

Gaussian-Accelerated Molecular Dynamics with the Weighted Ensemble Method: A Hybrid Method Improves Thermodynamic and Kinetic Sampling

基于加权系综方法的 Gaussian 加速分子动力学模拟:一种改进热力学和动力学采样的混合方法

Ahn, Surl-Hee; Ojha, Anupam A; Amaro, Rommie E; McCammon, J Andrew

Adaptive Evolution of Peptide Inhibitors for Mutating SARS-CoV-2

针对SARS-CoV-2突变体的肽抑制剂的适应性进化

Courtney, Joseph M; Bax, Ad; Tik Pang, Yui; Acharya, Atanu; Lynch, Diane L; Gumbart, James C; Varshneya, Meera; Irurzun-Arana, Itziar; Campana, Chiara; Dariolli, Rafael; Gutierrez, Amy; Pullinger, Taylor K; Sobie, Eric A; Sztain-Pedone, Terra; Ahn, Surl-Hee; Bogetti, Anthony; Casalino, Lorenzo; Gaieb, Zied; McCammon, James A; Chong, Lillian T; Amaro, Rommie E; Moradi, Mahmoud; Govind Kumar, Vivek; Ogden, Dylan S; Isu, Ugochi; Losey, James; Costello, Shawn M; Hobbs, Helen T; Shoemaker, Sophie R; Powell, Abigail E; Lim, Shion A; Wells, James A; Kim, Peter S; Pak, John E; Marqusee, Susan; Kumarage, Teshani; Ankner, John F; Phan, Minh D; Katsaras, John; Ashkar, Rana; Bafna, Khushboo; White, Kris; Harish, Balasubramanian; Royer, Catherine A; Garcia-Sastre, Adolfo; Krug, Robert M; Montelione, Gaetano T; Mickolajczyk, Keith J; Shelton, Patrick M; Grasso, Michael; Cao, Xiaocong; Warrington, Sara E; Aher, Amol; Liu, Shixin; Kapoor, Tarun M; Su, Rui; Zeng, Jin; Thiyagarajan, Sathish; O'Shaughnessy, Ben; Amitai, Assaf; Sangesland, Maya; Lingwood, Daniel; Chakraborty, Arup K; Kiss, Balint; Kis, Zoltán; Pályi, Bernadett; Kellermayer, Miklós S; Ling, Michelle X; Nguyen, Michelle; McCollum, Kyle; Lee, Raphael C; Acharya, Atanu; Pavlova, Anna; Chipot, Christophe J; Gumbart, James C; Harris, Bradley; Huang, Yihan; Lara, Giovanni; Minami, Shiaki; Kenaston, Matthew; Jung, Seongwon; Xiong, Yongao; McDonald, Karen; Nandi, Somen; Shah, Priya; Faller, Roland; Lund-Andersen, Peik K; Ellis, Jeremy R; Leuven, James T Van; Patel, Jagdish; Hura, Greg L; Cunningham, Caylee; Imperatore, Joshua; Milback, Ella; Shine, Morgan; Pellegrene, Kendy A; Lackey, Patrick; Evanseck, Jeffrey D; Mihailescu, Mihaela-Rita; Nelson, Peter H; Iyengar, Suhasini M; Barnsley, Kelton; Yen Vu, Hoang; Dilworth, Ryan; Sefcikova, Jana; Beuning, Penny; Jo Ondrechen, Mary; Hsieh, Min-Kang; Klauda, Jeffery B; Chen, Tianle; Kapoor, Karan; Tajkhorshid, Emad; Uetrecht, Charlotte; Himbert, Sebastian; Rheinstädter, Maikel; Ghorbani, Mahdi; Brooks, Bernard R; Klauda, Jeffery B; Nguyen, Kien; Chakraborty, Srirupa; Mansbach, Rachael A; Manrique, Pedro D; Korber, Bette; Gnanakaran, Sandrasegaram; Bhattarai, Apurba; Pawnikar, Shristi; Miao, Yinglong; Khelashvili, George; Weinstein, Harel; Lu, Maolin; Uchil, Pradeep D; Li, Wenwei; Terry, Daniel S; Gorman, Jason; Zhang, Baoshang; Zhou, Tongqing; Ding, Shilei; Liu, Lihong; Ho, David D; Mascola, John R; Finzi, Andrés; Kwong, Peter; Blanchard, Scott C; Mothes, Walther; Evans, Daniel J; Yovanno, Remy A; Rahman, Sanim; Bandak, Afif; Lau, Albert Y; Iino, Haruki; Abdolahzadeh, Amir; Dolgosheina, Elena; Poudevigne-Durance, Paul; Moore, George; Girvan, Paul; Kaczmarczyk, Artur; Zhang, Tianyi; Newton, Matt D; Unrau, Peter J; Rueda, David S; Sengar, Anjali; Morbioli, Giorgio; Kasson, Peter; Song, Yuwei; Qayyum, Shariq; Slominski, Radomir; Raman, Chander; Slominski, Andrzej; Song, Yuhua; Hsueh, Ching-chung; Plotkin, Steven S; Greer, Rory; Song, Yuwei; Patton, Michael J; Might, Matthew; Harrod, Kevin; Petit, Chad M; Song, Yuhua; Mansbach, Rachael A; Chakraborty, Srirupa; Nguyen, Kien; Montefiori, David C; Korber, Bette; Gnanakaran, Gnana; Qadan, Motamed; Farrell, Joseph P; Haddadian, Esmael J; Sumbul, Fidan; Valotteau, Claire; Fernandez, Ignacio; Meola, Analisa; Baquero, Eduard; Kostrz, Dorota; Gosse, Charlie; Strick, Terence R; Rey, Felix; Rico, Felix; Kensinger, Adam H; Pellegrene, Kendy A; Imperatore, Joshua; Srnec, Matthew N; Mihailescu, Mihaela-Rita; Evanseck, Jeffrey D; Neupane, Krishna P; Zhao, Meng; Hoffer, Noel Q; Lyons, Aaron; Munshi, Sneha; Ritchie, Dustin; Woodside, Michael T; Addabbo, Rayna M; Kohler, John; Angert, Isaac; Chen, Yan; Hanson, Heather; Mansky, Louis M; Mueller, Joachim D; Chakraborty, Srirupa; Mansbach, Rachael A; Nguyen, Kien; Manrique, Pedro D; Gnanakaran, Sandrasegaram; Pavlova, Anna; Lynch, Diane L; Dean Smith, Micholas; Smith, Jeremy D; Gumbart, James C; Kent, Michael S; Stefan, Maxwell; Sale, Kenneth; Hudson, Corey; Martinez, Daniella; Juarros, Miranda; Harmon, Brooke; Gelperin, Daniel; Duva, Valerie; Wynne, Alyssa; Busygina, Valeria; Morciglio, Anthony J; Jiang, Yi; Bones, Josiah; Corry, Ben; Kazan, Ismail C; Ozkan, S Banu; Zimmerman, Maxwell I; Bowman, Gregory; Diessner, Elizabeth M; Zong, Zixiao; Cross, Thomas J; Takahashi, Gemma R; Crosby, Marquise G; Farahmad, Vesta; Zhuang, Shannon; Butts, Carter T; Martin, Rachel W; Choi, Youna N; McMillan, Ryan B; Carter, Ashley R; Mendis, Jenny; Kaya, Ekrem; Kucukkal, Tugba G; Ferraz, Matheus; Lins, Roberto; Pellegrene, Kendy A; Imperatore, Joshua A; Cunningham, Caylee L; Kensinger, Adam H; Mihailescu, Petru; Srnec, Matthew N; Mihailescu, Mihaela-Rita; Evanseck, Jeffrey D; Reza Arastoo, Mohammad; Moreno Pescador, Guillermo Sergio; Lysdal Veje, Emilie; Østbye, Henrik; Daniels, Robert; Martin Bendix, Poul; Barnes, Jonathan E; Lund-Andersen, Peik K; Patel, Jagdish S; Ytreberg, F Marty; Neupane, Krishna; Munshi, Sneha; Zhao, Meng; Ritchie, Dustin; Ileperuma, Sandaru M; Woodside, Michael T; Battaglia, Giuseppe; Sandberg, Jesse; Brannigan, Grace H; Imperatore, Joshua A; Cunningham, Caylee L; Frye, Caleb J; Pellegrene, Kendy A; Evanseck, Jeffrey D; Mihailescu, Mihaela-Rita; Monje-Galvan, Viviana; Pak, Alexander; Voth, Gregory A; Szendrey, Mark; Guo, Jun; Li, Wentao; Yang, Tonghua; Zhang, Shetuan; Ibrahim Omar, Sara; Zhao, Meng; Vedhthaanth Sekar, Rohith; Arbabimoghadam, Sahar; Tuszynski, Jack A; Woodside, Michael T; Chaturvedi, Parth; Han, Yanxiao; Král, Petr; Vukovic, Lela

Characterizing protein kinase A (PKA) subunits as macromolecular regulators of PKA RIα liquid-liquid phase separation

将蛋白激酶A (PKA) 亚基表征为PKA RIα液-液相分离的大分子调节因子

Ahn, Surl-Hee; Qin, Sanbo; Zhang, Jason Z; McCammon, J Andrew; Zhang, Jin; Zhou, Huan-Xiang

Data for molecular dynamics simulations of Escherichia coli cytochrome bd oxidase with the Amber force field

利用 Amber 力场对大肠杆菌细胞色素 bd 氧化酶进行分子动力学模拟的数据

Ahn, Surl-Hee; Seitz, Christian; Cruzeiro, Vinícius Wilian D; McCammon, J Andrew; Götz, Andreas W