Protein–Ligand Binding Free Energy Calculations with FEP+ | SpringerLink
Free Energy Perturbation (FEP): Another technique in the drug discovery toolbox
Relative Binding Affinity Prediction of Charge-Changing Sequence Mutations with FEP in Protein–Protein Interfaces - ScienceDirect
The business case for outsourcing FEP calculations
Modified Hamiltonian in FEP Calculations for Reducing the Computational Cost of Electrostatic Interactions | Journal of Chemical Information and Modeling
a) Whole FEP workflow for protein−ligand binding-affinity... | Download Scientific Diagram
QligFEP: an automated workflow for small molecule free energy calculations in Q | Journal of Cheminformatics | Full Text
Thermodynamics cycle for calculating the relative binding free energy... | Download Scientific Diagram
Best Practices for Alchemical Free Energy Calculations [Article v 1.0]
Free Energy Workshop 2019 - Abstracts
Description of the FEP calculations. A , thermodynamic cycle for FEP... | Download Scientific Diagram
Free Energy Methods (FEP) | Schrödinger
xfep
Prediction of Protein–Ligand Binding Pose and Affinity Using the gREST+FEP Method | Journal of Chemical Information and Modeling
An example of FEP calculation on core-hopping using fragment-based design. | Download Scientific Diagram
Description of the FEP calculations. A , thermodynamic cycle for FEP... | Download Scientific Diagram
Modified Hamiltonian in FEP Calculations for Reducing the Computational Cost of Electrostatic Interactions | Journal of Chemical Information and Modeling
FEP calculation of the relative binding free energy due to a mutation.... | Download Scientific Diagram
Modified Hamiltonian in FEP Calculations for Reducing the Computational Cost of Electrostatic Interactions | Journal of Chemical Information and Modeling
Automated Assessment of Binding Affinity via Alchemical Free Energy Calculations
The business case for outsourcing FEP calculations
free_energy_methods
