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

AQuaRef: machine learning accelerated quantum refinement of protein structures

AQuaRef:机器学习加速蛋白质结构的量子精修

Zubatyuk, Roman; Biczysko, Malgorzata; Ranasinghe, Kavindri; Moriarty, Nigel W; Gokcan, Hatice; Kruse, Holger; Poon, Billy K; Adams, Paul D; Waller, Mark P; Roitberg, Adrian E; Isayev, Olexandr; Afonine, Pavel V

Reliable Modeling of Anharmonic Spectra Line-Shapes from VPT2 and Hybrid QM Models: IR Spectrum of Uracil as a Test Case

基于VPT2和混合量子力学模型的非谐光谱线形可靠建模:以尿嘧啶红外光谱为例

Xu, Ruiqin; Yang, Qin; Bloino, Julien; Biczysko, Malgorzata

AQuaRef: Machine learning accelerated quantum refinement of protein structures

AQuaRef:机器学习加速蛋白质结构的量子精修

Zubatyuk, Roman; Biczysko, Malgorzata; Ranasinghe, Kavindri; Moriarty, Nigel W; Gokcan, Hatice; Kruse, Holger; Poon, Billy K; Adams, Paul D; Waller, Mark P; Roitberg, Adrian E; Isayev, Olexandr; Afonine, Pavel V

Editorial: composite materials in biological and bioinspired systems

社论:生物和仿生系统中的复合材料

Fang, Chong; Rega, Nadia; Biczysko, Malgorzata; Krings, Wencke; Gorb, Stanislav N

Toward the identification of cyano-astroCOMs via vibrational features: benzonitrile as a test case

通过振动特征识别氰基天体有机化合物:以苯甲腈为例

Xu, Yanting; Biczysko, Malgorzata

Investigating the stability of aromatic carboxylic acids in hydrated magnesium sulfate under UV irradiation to assist detection of organics on Mars

研究紫外线照射下水合硫酸镁中芳香族羧酸的稳定性,以协助探测火星上的有机物

Andrew Alberini, Teresa Fornaro, Cristina García-Florentino, Malgorzata Biczysko, Iratxe Poblacion, Julene Aramendia, Juan Manuel Madariaga, Giovanni Poggiali, Álvaro Vicente-Retortillo, Kathleen C Benison, Sandra Siljeström, Sole Biancalani, Christian Lorenz, Edward A Cloutis, Dan M Applin, Felipe

Every Third Male Patient with Acromegaly Recovers from Hypogonadism after Neurosurgical Treatment

每三名肢端肥大症男性患者中就有一名在接受神经外科手术后性腺功能减退症得到缓解。

Derwich-Rudowicz, Aleksandra; Nijakowski, Kacper; Biczysko, Aleksandra; Ziemnicka, Katarzyna; Liebert, Włodzimierz; Ruchała, Marek; Sawicka-Gutaj, Nadia

Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations

两种新型紫精衍生物的异构化诱导荧光增强:机理解析和DFT计算

Yin, Xiuping; Li, Xinxing; Li, Xuyi; Biczysko, Malgorzata; Zhu, Shourong; Xu, Jiaqiang; Bai, Yue-Ling

Serum Phosphorus and Calcium as Biomarkers of Disease Status in Acromegaly

血清磷和钙作为肢端肥大症疾病状态的生物标志物

Sawicka-Gutaj, Nadia; Derwich-Rudowicz, Aleksandra; Biczysko, Aleksandra; Turchyn, Solomiya; Ziółkowska, Paulina; Ziemnicka, Katarzyna; Gut, Paweł; Nijakowski, Kacper; Ruchała, Marek

The potential utility of the SAGIT instrument in the clinical assessment of patients with acromegaly, a large single-centre study

SAGIT 工具在肢端肥大症患者临床评估中的潜在应用价值:一项大型单中心研究

Sawicka-Gutaj, Nadia; Ziółkowska, Paulina; Biczysko, Aleksandra; Erampamoorthy, Abikasinee; Ziemnicka, Katarzyna; Ruchała, Marek