Nikolai Schapin

According to our database, Nikolai Schapin authored at least 4 papers between 2022 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

On Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction.

Nikolai Schapin, Carles Navarro, Albert Bou, Gianni De Fabritiis

CoRR, 2024

PlayMolecule pKAce: Small Molecule Protonation through Equivariant Neural Networks.

Nikolai Schapin, Maciej Majewski, Mariona Torrens-Fontanals, Gianni De Fabritiis

CoRR, 2024

2023

Machine Learning Small Molecule Properties in Drug Discovery.

Nikolai Schapin, Maciej Majewski, Alejandro Varela-Rial, Carlos Arroniz, Gianni De Fabritiis

CoRR, 2023

2022

PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks.

Alejandro Varela-Rial, Iain Maryanow, Maciej Majewski, Stefan Doerr, Nikolai Schapin, José Jiménez-Luna, Gianni De Fabritiis

J. Chem. Inf. Model., 2022