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

IRIS: A Machine Learning-Based Pose Reranking Tool for RNA-Ligand Docking

IRIS:一种基于机器学习的RNA-配体对接姿态重排序工具

Amburn, Jason Andrew; J Rukmani, Shalini; Parks, Jerry M; Smith, Jeremy C

Coarse-grained molecular dynamics simulation of solvent-dependent cellulose nanofiber interactions

溶剂依赖性纤维素纳米纤维相互作用的粗粒化分子动力学模拟

Rukmani, Shalini J; Yu, Yan; Mohan, Mood; Sethuraman, Vaidyanathan; Goswami, Monojoy; Smith, Jeremy C

The need to implement FAIR principles in biomolecular simulations

在生物分子模拟中实施 FAIR 原则的必要性

Amaro, Rommie E; Åqvist, Johan; Bahar, Ivet; Battistini, Federica; Bellaiche, Adam; Beltran, Daniel; Biggin, Philip C; Bonomi, Massimiliano; Bowman, Gregory R; Bryce, Richard A; Bussi, Giovanni; Carloni, Paolo; Case, David A; Cavalli, Andrea; Chang, Chia-En A; Cheatham, Thomas E 3rd; Cheung, Margaret S; Chipot, Christophe; Chong, Lillian T; Choudhary, Preeti; Cisneros, G Andres; Clementi, Cecilia; Collepardo-Guevara, Rosana; Coveney, Peter; Covino, Roberto; Crawford, T Daniel; Dal Peraro, Matteo; de Groot, Bert L; Delemotte, Lucie; De Vivo, Marco; Essex, Jonathan W; Fraternali, Franca; Gao, Jiali; Gelpí, Josep Ll; Gervasio, Francesco L; González-Nilo, Fernando D; Grubmüller, Helmut; Guenza, Marina G; Guzman, Horacio V; Harris, Sarah; Head-Gordon, Teresa; Hernandez, Rigoberto; Hospital, Adam; Huang, Niu; Huang, Xuhui; Hummer, Gerhard; Iglesias-Fernández, Javier; Jensen, Jan H; Jha, Shantenu; Jiao, Wanting; Jorgensen, William L; Kamerlin, Shina C L; Khalid, Syma; Laughton, Charles; Levitt, Michael; Limongelli, Vittorio; Lindahl, Erik; Lindorff-Larsen, Kresten; Loverde, Sharon; Lundborg, Magnus; Luo, Yun L; Luque, F Javier; Lynch, Charlotte I; MacKerell, Alexander D Jr; Magistrato, Alessandra; Marrink, Siewert J; Martin, Hugh; McCammon, J Andrew; Merz, Kenneth; Moliner, Vicent; Mulholland, Adrian J; Murad, Sohail; Naganathan, Athi N; Nangia, Shikha; Noe, Frank; Noy, Agnes; Oláh, Julianna; O'Mara, Megan L; Ondrechen, Mary Jo; Onuchic, Jose N; Onufriev, Alexey; Osuna, Sílvia; Palermo, Giulia; Panchenko, Anna R; Pantano, Sergio; Parish, Carol; Parrinello, Michele; Perez, Alberto; Perez-Acle, Tomas; Perilla, Juan R; Pettitt, B Montgomery; Pietropaolo, Adriana; Piquemal, Jean-Philip; Poma, Adolfo B; Praprotnik, Matej; Ramos, Maria J; Ren, Pengyu; Reuter, Nathalie; Roitberg, Adrian; Rosta, Edina; Rovira, Carme; Roux, Benoit; Rothlisberger, Ursula; Sanbonmatsu, Karissa Y; Schlick, Tamar; Shaytan, Alexey K; Simmerling, Carlos; Smith, Jeremy C; Sugita, Yuji; Świderek, Katarzyna; Taiji, Makoto; Tao, Peng; Tieleman, D Peter; Tikhonova, Irina G; Tirado-Rives, Julian; Tuñón, Iñaki; van der Kamp, Marc W; van der Spoel, David; Velankar, Sameer; Voth, Gregory A; Wade, Rebecca; Warshel, Ariel; Welborn, Valerie Vaissier; Wetmore, Stacey D; Wheeler, Travis J; Wong, Chung F; Yang, Lee-Wei; Zacharias, Martin; Orozco, Modesto

The N-terminal domain of COMPANION OF CELLULOSE SYNTHASE1 promotes microtubule array formation in Arabidopsis

COMPANION OF CELLULOSE SYNTHASE1 的 N 端结构域促进拟南芥中微管阵列的形成

Gurumoorthy, Viswanathan; Hicks, Alan; Tiruvadi-Krishnan, Sriram; Leite, Wellington C; Chodankar, Shirish; Kolape, Jaydeep L; Smith, Jeremy C; Lamichhane, Rajan; O'Neill, Hugh

Structure-Based Design of Small-Molecule Inhibitors of Human Interleukin-6

基于结构的人类白细胞介素-6小分子抑制剂设计

Joshi, Ankit; Xiao, Zhousheng; Suman, Shreya; Cooper, Connor; Ha, Khanh; Carson, James A; Quarles, Leigh Darryl; Smith, Jeremy C; Gupta, Madhulika

Mutations in the proximal binding site and F-loop of AdeJ confer resistance to efflux pump inhibitors

AdeJ近端结合位点和F环的突变赋予其对外排泵抑制剂的耐药性。

Saral Sariyer, Aysegul; Leus, Inga V; Tambat, Rushikesh; Farjana, Mithila; Olvera, Marcela; Rukmani, Shalini J; Sariyer, Emrah; Smith, Jeremy C; Parks, Jerry M; Walker, John K; Zgurskaya, Helen I

Sialic acid identity modulates host tropism of sialoglycan-binding viridans group streptococci

唾液酸的特性调节唾液酸糖结合草绿色链球菌的宿主趋向性

Morrison, KeAndreya M; Agarwal, Rupesh; Stubbs, Haley E; Yu, Hai; Ruhl, Stefan; Chen, Xi; Sullam, Paul M; Bensing, Barbara A; Smith, Jeremy C; Iverson, T M

Toxic Effects of Butanol in the Plane of the Cell Membrane

丁醇对细胞膜平面的毒性作用

Tan, Luoxi; Scott, Haden L; Smith, Micholas Dean; Pingali, Sai Venkatesh; Cheng, Xiaolin; O'Neill, Hugh M; Katsaras, John; Smith, Jeremy C; Elkins, James G; Davison, Brian H; Nickels, Jonathan D

Bacteriorhodopsin proton-pumping mechanism: Successes and challenges in computational approaches

细菌视紫红质质子泵机制:计算方法的成功与挑战

Bondar, Ana-Nicoleta; Smith, Jeremy C

Simulation and generalized Langevin equation study of lipid subdiffusion in biomembrane phases

生物膜相中脂质亚扩散的模拟和广义朗之万方程研究

Malik, Sheeba; Kneller, Gerald R; Smith, Micholas Dean; Smith, Jeremy C