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

Overlay databank unlocks data-driven analyses of biomolecules for all

叠加数据库为所有生物分子解锁了数据驱动的分析。

Kiirikki, Anne M; Antila, Hanne S; Bort, Lara S; Buslaev, Pavel; Favela-Rosales, Fernando; Ferreira, Tiago Mendes; Fuchs, Patrick F J; Garcia-Fandino, Rebeca; Gushchin, Ivan; Kav, Batuhan; Kučerka, Norbert; Kula, Patrik; Kurki, Milla; Kuzmin, Alexander; Lalitha, Anusha; Lolicato, Fabio; Madsen, Jesper J; Miettinen, Markus S; Mingham, Cedric; Monticelli, Luca; Nencini, Ricky; Nesterenko, Alexey M; Piggot, Thomas J; Piñeiro, Ángel; Reuter, Nathalie; Samantray, Suman; Suárez-Lestón, Fabián; Talandashti, Reza; Ollila, O H Samuli

Approaching Optimal pH Enzyme Prediction with Large Language Models

利用大型语言模型预测最佳pH酶活性

Zaretckii, Mark; Buslaev, Pavel; Kozlovskii, Igor; Morozov, Alexander; Popov, Petr

gmXtal: Cooking Crystals with GROMACS

gmXtal:用 GROMACS 烹饪晶体

Buslaev, Pavel; Groenhof, Gerrit

Unraveling viral drug targets: a deep learning-based approach for the identification of potential binding sites

揭示病毒药物靶点:基于深度学习的识别潜在结合位点的方法

Petr Popov, Roman Kalinin, Pavel Buslaev, Igor Kozlovskii, Mark Zaretckii, Dmitry Karlov, Alexander Gabibov, Alexey Stepanov

Best Practices in Constant pH MD Simulations: Accuracy and Sampling

恒定pH值分子动力学模拟的最佳实践:准确性和采样

Buslaev, Pavel; Aho, Noora; Jansen, Anton; Bauer, Paul; Hess, Berk; Groenhof, Gerrit

Scalable Constant pH Molecular Dynamics in GROMACS

GROMACS中的可扩展恒定pH分子动力学

Aho, Noora; Buslaev, Pavel; Jansen, Anton; Bauer, Paul; Groenhof, Gerrit; Hess, Berk

Assembly of Spinach Chloroplast ATP Synthase Rotor Ring Protein-Lipid Complex

菠菜叶绿体ATP合酶转子环蛋白-脂质复合物的组装

Novitskaia, Olga; Buslaev, Pavel; Gushchin, Ivan

Effects of Coarse Graining and Saturation of Hydrocarbon Chains on Structure and Dynamics of Simulated Lipid Molecules

粗粒化和烃链饱和度对模拟脂质分子结构和动力学的影响

Buslaev, Pavel; Gushchin, Ivan