Structure-Function Analysis of Resistance to Bamlanivimab by SARS-CoV-2 Variants Kappa, Delta, and Lambda
- Shufeng Liu
- Tien Huynh
- et al.
- 2021
- J. Chem. Inf. Model.
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Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields
- James L McDonagh
- Ardita Shkurti
- et al.
- 2019
- J. Chem. Inf. Model.
Boosting Docking-Based Virtual Screening with Deep Learning
- Janaina Cruz Pereira
- Ernesto Raúl Caffarena
- et al.
- 2016
- J. Chem. Inf. Model.
New scoring functions for virtual screening from molecular dynamics simulations with a quantum-refined force-field (QRFF-MD). Application to cyclin-dependent kinase 2
- Ph. Ferrara
- A. Curioni
- et al.
- 2005
- J. Chem. Inf. Model.