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

AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell Chemistry

AIMNet2-NSE:一种用于开壳层化学的可转移反应神经网络

Kalita, Bhupalee; Zubatyuk, Roman; Anstine, Dylan M; Bergeler, Maike; Settels, Volker; Stork, Conrad; Spicher, Sebastian; Isayev, Olexandr

The role of Notch signalling and its crosstalk with oestrogen receptor signalling in breast cancer

Notch信号通路及其与雌激素受体信号通路相互作用在乳腺癌中的作用

Azadova, Aygun; Isayev, Orkhan; Marco, Antonio; Brooke, Greg N

Infantile-Onset Vanishing White Matter Disease in an Azerbaijani Infant With a Homozygous EIF2B5 p.(Arg195His) Variant

一名阿塞拜疆婴儿患有婴儿期发病的消失性白质病,该婴儿携带纯合的 EIF2B5 p.(Arg195His) 变异

Isayev, Cavid; Haciyeva, Ilaha; Hasanov, Emil; Hasanova, Fidan; Samadov, Parviz

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

Fast and Accurate Ring Strain Energy Predictions with Machine Learning and Application in Strain-Promoted Reactions

利用机器学习快速准确地预测环应变能及其在应变促进反应中的应用

Liu, Zhen; Vinskus, Jessica; Fu, Yue; Liu, Peng; Noonan, Kevin J T; Isayev, Olexandr

AIMNet2: a neural network potential to meet your neutral, charged, organic, and elemental-organic needs

AIMNet2:一种神经网络,能够满足您的中性、带电、有机和元素有机需求。

Anstine, Dylan M; Zubatyuk, Roman; Isayev, Olexandr

High-throughput electronic property prediction of cyclic molecules with 3D-enhanced machine learning

利用三维增强机器学习技术对环状分子进行高通量电子性质预测

Zheng, Peikun; Isayev, Olexandr

ANI-1xBB: An ANI-Based Reactive Potential for Small Organic Molecules

ANI-1xBB:一种基于ANI的小分子有机反应势

Zhang, Shuhao; Zubatyuk, Roman; Yang, Yinuo; Roitberg, Adrian; Isayev, Olexandr

Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry

将物理信息原子化约束纳入反应化学神经网络

Zhang, Shuhao; Chigaev, Michael; Isayev, Olexandr; Messerly, Richard A; Lubbers, Nicholas

An Investigation of the BRCA2 Met1915Thr Polymorphism in Azerbaijani Breast Cancer Patients

对阿塞拜疆乳腺癌患者BRCA2 Met1915Thr多态性的研究

Safarzade, Zumrud; Bayramov, Bayram; Mehdiyeva, Nigar; Valiyeva, Hagigat; Ahmadova, Gunay; Kerimova, Rena; Qurbanova, Qamar; Isayev, Orkhan; Allahverdiyev, Adil