Quantum-based machine learning and AI models to generate force field parameters for drug-like small molecules

por Mudedla, Sathish Kumar, Braka, Abdennour, Wu, Sangwook
Publicado 2022

Destabilization of amyloid fibrils on interaction with MoS(2)-based nanomaterials

por Mudedla, Sathish Kumar, Murugan, Natarajan Arul, Subramanian, Venkatesan, Agren, Hans
Publicado 2019

QM/MM Simulations for the Broken-Symmetry Catalytic Reaction Mechanism of Human Arginase I

por Mudedla, Sathish Kumar, Ghosh, Boyli, Dhoke, Gaurao V., Oh, SeKyu, Wu, Sangwook
Publicado 2022

PCW-A1001, AI-assisted de novo design approach to design a selective inhibitor for FLT-3(D835Y) in acute myeloid leukemia

por Jang, Seong Hun, Sivakumar, Dakshinamurthy, Mudedla, Sathish Kumar, Choi, Jaehan, Lee, Sungmin, Jeon, Minjun, Bvs, Suneel Kumar, Hwang, Jinha, Kang, Minsung, Shin, Eun Gyeong, Lee, Kyu Myung, Jung, Kwan-Young, Kim, Jae-Sung, Wu, Sangwook
Publicado 2022