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

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

Structural insights into AQP3 channel closure upon pH and redox changes reveal an autoregulatory molecular mechanism.

通过对 pH 值和氧化还原变化时 AQP3 通道关闭的结构性研究,揭示了一种自调节分子机制。

Huang Peng, Venskutonytė Raminta, Wilson Carter J, Bsharat Sara, Prasad Rashmi B, Gourdon Pontus, Artner Isabella, de Groot Bert L, Lindkvist-Petersson Karin

Cooperative role of PACT and ADAR1 in preventing aberrant PKR activation by self-derived double-stranded RNA.

PACT 和 ADAR1 在防止自身衍生的双链 RNA 引起异常 PKR 激活方面发挥协同作用

Manjunath Lavanya, Santiago Gisselle, Ortega Pedro, Sanchez Ambrocio, Oh Sunwoo, Garcia Alexander, Li Junyi, Duong Dana, Bournique Elodie, Bouin Alexis, Semler Bert L, Setiaputra Dheva, Buisson Rémi

Lipidic folding pathway of α-Synuclein via a toxic oligomer

通过有毒寡聚体的 α-突触核蛋白脂质折叠途径

Vrinda Sant, Dirk Matthes, Hisham Mazal, Leif Antonschmidt, Franz Wieser, Kumar T Movellan, Kai Xue, Evgeny Nimerovsky, Marianna Stampolaki, Magdeline Nathan, Dietmar Riedel, Stefan Becker, Vahid Sandoghdar, Bert L de Groot, Christian Griesinger, Loren B Andreas2

Improving pK(a) Predictions with Reparameterized Force Fields and Free Energy Calculations

利用重新参数化的力场和自由能计算改进 pK(a) 预测

Wilson, Carter J; Gapsys, Vytautas; de Groot, Bert L

Genotype-Phenotype Correlations, Treatment, and Prognosis of Children With Early-Onset (Neonatal) Marfan Syndrome

早发型(新生儿期)马凡综合征患儿的基因型-表型相关性、治疗和预后

van der Leest, Eva C; van der Hulst, Annelies E; Pals, Gerard; Zhytnik, Lidiia; Lai, Lillian; Jacquemart, Caroline; Mills, Lindsay; Houben, Michiel; Jira, Petr; Lunshof, Bert L; Warnink-Kavelaars, Jessica; de Waard, Vivian; Menke, Leonie A

New rabies viral resources for multi-scale neural circuit mapping

用于多尺度神经回路映射的新型狂犬病毒资源

Alexis Bouin #, Ginny Wu #, Orkide O Koyuncu, Qiao Ye, Keun-Young Kim, Michele Y Wu, Liqi Tong, Lujia Chen, Sebastien Phan, Mason R Mackey, Ranjan Ramachandra, Mark H Ellisman, Todd C Holmes, Bert L Semler, Xiangmin Xu

Guidelines for Free-Energy Calculations Involving Charge Changes

涉及电荷变化的自由能计算指南

Petrov, Drazen; Perthold, Jan Walther; Oostenbrink, Chris; de Groot, Bert L; Gapsys, Vytautas

Selectivity filter mutations shift ion permeation mechanism in potassium channels

选择性过滤器突变会改变钾通道中的离子渗透机制

Mironenko, Andrei; de Groot, Bert L; Kopec, Wojciech

A CRISPR-Cas9 knockout screening identifies IRF2 as a key driver of OAS3/RNase L-mediated RNA decay during viral infection

CRISPR-Cas9 敲除筛选发现 IRF2 是病毒感染期间 OAS3/RNase L 介导的 RNA 衰变的关键驱动因素

Sunwoo Oh, Gisselle Santiago, Lavanya Manjunath, Junyi Li, Alexis Bouin, Bert L Semler, Rémi Buisson