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

AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors

AI增强型自适应虚拟筛选平台可探索690亿个分子,并发现结构验证的FSP1抑制剂

Cecchini, Domiziana; Nigam, AkshatKumar; Tang, Ming; Reis, Joana; Koop, Matt; Gottinger, Andrea; Nicoll, Callum Robert; Wang, Yao; Jayaraj, Abhilash; Çınaroğlu, Süleyman Selim; Törner, Ricarda; Malets, Yehor; Gehev, Minko; Das, Krishna M Padmanabha; Churion, Kelly; Kim, Jongwan; Thomas, Nidhin; Li, Yong; Seo, Hyuk-Soo; Dhe-Paganon, Sirano; Secker, Christopher; Haddadnia, Mohammad; Hasson, Alexander; Li, Minkai; Kumar, Abhishek; Levin-Konigsberg, Roni; Choi, Eun-Bee; Shapiro, Geoffrey I; Cox, Huel; Sebastian, Luke; Braithwaite, Chelsea; Bashyal, Puspalata; Radchenko, Dmytro S; Kumar, Aditya; Yang, Lei; Aquilanti, Pierre-Yves; Gabb, Henry; Alhossary, Amr; Wagner, Gerhard; Aspuru-Guzik, Alán; Moroz, Yurii S; Kalodimos, Charalampos G; Fackeldey, Konstantin; Schuetz, John D; Mattevi, Andrea; Arthanari, Haribabu; Gorgulla, Christoph

Structural insights into the DNA-binding mechanism of BCL11A: The integral role of ZnF6.

BCL11A DNA 结合机制的结构解析:ZnF6 的重要作用

Viennet Thibault, Yin Maolu, Jayaraj Abhilash, Kim Woojin, Sun Zhen-Yu J, Fujiwara Yuko, Zhang Kevin, Seruggia Davide, Seo Hyuk-Soo, Dhe-Paganon Sirano, Orkin Stuart H, Arthanari Haribabu

Molecular dynamics of mismatch detection-How MutS uses indirect readout to find errors in DNA

错配检测的分子动力学——MutS如何利用间接读取来发现DNA中的错误

Jayaraj, Abhilash; Thayer, Kelly M; Beveridge, David L; Hingorani, Manju M

Recurrent Acute on Chronic Respiratory Failure in Stiff Person Syndrome

僵人综合征中慢性呼吸衰竭的复发性急性发作

Bheemavarapu, Bhumika; Singh, Arkaja; Ranjini, Nived Jayaraj; Abhilash Meda, Venkata Sai; Patil, Dhrumil

Emerging frontiers in virtual drug discovery: From quantum mechanical methods to deep learning approaches

虚拟药物发现的新兴前沿:从量子力学方法到深度学习方法

Gorgulla, Christoph; Jayaraj, Abhilash; Fackeldey, Konstantin; Arthanari, Haribabu

Approaches and Perspective of Coarse-Grained Modeling and Simulation for Polymer-Nanoparticle Hybrid Systems

聚合物-纳米粒子杂化体系粗粒化建模与仿真方法及展望

Khan, Parvez; Kaushik, Rahul; Jayaraj, Abhilash

In-silico prediction of novel drug-target complex of nsp3 of CHIKV through molecular dynamic simulation

通过分子动力学模拟对基孔肯雅病毒nsp3新型药物靶点复合物进行计算机预测

Kumar, Durgesh; Meena, Mahendra Kumar; Kumari, Kamlesh; Patel, Rajan; Jayaraj, Abhilash; Singh, Prashant