State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
Zhuoran Qiao(Io Therapeutics (United States)), Anima Anandkumar(California Institute of Technology), Thomas F. Miller(Bayer (United States)), Arash Vahdat(Nvidia (United States)), Weili Nie(Nvidia (United States))
Cited by 25
Related Papers
Scientific discovery in the age of artificial intelligence
|Nature|2023|1.6k
Systematic Computational and Experimental Investigation of Lithium-Ion Transport Mechanisms in Polyester-Based Polymer Electrolytes
|ACS Central Science|2015|223
Multi-modal molecule structure–text model for text-based retrieval and editing
|Nature Machine Intelligence|2023|156
State-specific protein–ligand complex structure prediction with a multiscale deep generative model
|Nature Machine Intelligence|2024|141
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
|The International Journal of High Performance Computing Applications|2022|97