Kenichiro Takaba

Orcid: 0000-0002-2481-8830

According to our database1, Kenichiro Takaba authored at least 5 papers between 2021 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

2021
2022
2023
2024
0
1
2
3
1
2
1
1

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Dataset
Other 

Links

On csauthors.net:

Bibliography

2024
On the design space between molecular mechanics and machine learning force fields.
CoRR, 2024

2023
Espaloma-0.3.0: Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond.
CoRR, 2023

EspalomaCharge: Machine learning-enabled ultra-fast partial charge assignment.
CoRR, 2023

2022
Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy.
J. Comput. Chem., 2022

2021
FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method.
J. Chem. Inf. Model., 2021


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