On the frustration to predict binding affinities from protein–ligand structures with deep neural networks

M Volkov, JA Turk, N Drizard, N Martin… - Journal of medicinal …, 2022 - ACS Publications
Accurate prediction of binding affinities from protein–ligand atomic coordinates remains a
major challenge in early stages of drug discovery. Using modular message passing graph …
被引用次数：107 相关文章

On the Frustration to Predict Binding Affinities from Protein-Ligand Structures with Deep Neural Networks.

M Volkov, JA Turk, N Drizard, N Martin… - Journal of Medicinal …, 2022 - europepmc.org
Accurate prediction of binding affinities from protein-ligand atomic coordinates remains a
major challenge in early stages of drug discovery. Using modular message passing graph …

On the frustration to predict binding affinities from protein-ligand structures with deep neural networks

M Volkov, JA Turk, N Drizard, N Martin… - Journal of Medicinal …, 2022 - hal.science
Accurate prediction of binding affinities from protein-ligand atomic coordinates remains a
major challenge in early stages of drug discovery. Using modular message passing graph …

On the Frustration to Predict Binding Affinities from Protein-Ligand Structures with Deep Neural Networks

M Volkov, JA Turk, N Drizard… - Journal of …, 2022 - pubmed.ncbi.nlm.nih.gov
Accurate prediction of binding affinities from protein-ligand atomic coordinates remains a
major challenge in early stages of drug discovery. Using modular message passing graph …
[PDF] hal.science

[PDF][PDF] On the frustration to predict binding affinities from protein-ligand structures with deep neural networks

M Volkov, JA Turk, N Drizard, N Martin, B Hoffmann… - hal.science
Accurate prediction of binding affinities from protein-ligand atomic coordinates remains a
major challenge in early stages of drug discovery. Using modular message passing graph …