Search filters

List of works by David F Hahn

Best Practices for Alchemical Free Energy Calculations [Article v1.0]

scientific article published in 2020

Best Practices for Constructing, Preparing, and Evaluating Protein-Ligand Binding Affinity Benchmarks [Article v1.0]

scientific article published in 2022

Development and Benchmarking of Open Force Field v1.0.0—the Parsley Small-Molecule Force Field

scientific article published on 22 September 2021

Ensembler: A Simple Package for Fast Prototyping and Teaching Molecular Simulations

scientific article published on 29 January 2021

Expanded Ensemble Methods Can be Used to Accurately Predict Protein-Ligand Relative Binding Free Energies

scientific article published on 13 September 2021

Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes

scientific article published on 24 November 2020

The Conveyor Belt Umbrella Sampling (CBUS) Scheme: Principle and Application to the Calculation of the Absolute Binding Free Energies of Alkali Cations to Crown Ethers

scientific article published on 25 March 2020

Paulina is supported by:

About Paulina

Help