F. Manzoni

Can System Truncation Speed up Ligand-Binding Calculations with Periodic Free-Energy Simulations?

S. Genheden, U. Ryde, J. Uranga, 2017, J. Chem. Inf. Model..

Perdeuteration, crystallization, data collection and comparison of five neutron diffraction data sets of complexes of human galectin-3C

K. Saraboji, D. Logan, L. Coates, 2016, Acta crystallographica. Section D, Structural biology.

Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.

M. Akke, D. Logan, L. Coates, 2018, Journal of medicinal chemistry.

Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.

Martin A. Olsson, M. Akke, U. Ryde, 2019, Journal of the American Chemical Society.

Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data

U. Ryde, D. Logan, E. Oksanen, 2019, Acta crystallographica. Section D, Structural biology.

Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data. Corrigendum

U. Ryde, D. Logan, E. Oksanen, 2020, Acta crystallographica. Section D, Structural biology.

Assessing the stability of free-energy perturbation calculations by performing variations in the method

Ulf Ryde, Francesco Manzoni, U. Ryde, 2018, Journal of Computer-Aided Molecular Design.

Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field

Pär Söderhjelm, Francesco Manzoni, Pär Söderhjelm, 2014, Journal of Computer-Aided Molecular Design.