Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Salomé Rieder

8PUBLICATIONS

10CO-AUTHORS

Statistical mechanics in chemistryBiomolecular modelling and designComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Computational modelling and simulation in earth sciencesTranslational and applied bioinformatics

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (8)

Sort by Publication Date:

|Dec 09, 2023

Replica-Exchange Enveloping Distribution Sampling: Calculation of Relative Free Energies in GROMOS.

Salomé R Rieder, Benjamin Ries, Candide Champion

|Nov 10, 2023

Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases.

Candide Champion, René Gall, Benjamin Ries

|Mar 14, 2023

Accounting for Solvation Correlation Effects on the Thermodynamics of Water Networks in Protein Cavities.

Emilia P Barros, Benjamin Ries, Candide Champion

|Oct 03, 2022

Comparison of the United- and All-Atom Representations of (Halo)alkanes Based on Two Condensed-Phase Force Fields Optimized against the Same Experimental Data Set.

Marina P Oliveira, Yan M H Gonçalves, S Kashef Ol Gheta

|Sep 15, 2022

Leveraging the sampling efficiency of RE-EDS in OpenMM using a shifted reaction-field with an atom-based cutoff.

Salomé R Rieder, Benjamin Ries, Alžbeta Kubincová

|Jun 08, 2022

Replica-Exchange Enveloping Distribution Sampling Using Generalized AMBER Force-Field Topologies: Application to Relative Hydration Free-Energy Calculations for Large Sets of Molecules.

Salomé R Rieder, Benjamin Ries, Kay Schaller

Pageof 2

Frequent Collaborators

7 joint publications

Benjamin Ries

7 joint publications

Sereina Riniker

6 joint publications

Emilia P Barros

5 joint publications

Candide Champion

5 joint publications

Philippe H Hünenberger

1 joint publications

Alžbeta Kubincová

1 joint publications

Marina P Oliveira

1 joint publications

Karl Normak

1 joint publications

R Gregor Weiß

1 joint publications

Gerhard König

Frequent Collaborators

7 joint publications

Benjamin Ries

7 joint publications

Sereina Riniker

6 joint publications

Emilia P Barros

5 joint publications

Candide Champion

Top Related Videos

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Published on : Sep 01, 2023

Assaying Protein Kinase Activity with Radiolabeled ATP

Assaying Protein Kinase Activity with Radiolabeled ATP

Published on : May 26, 2017

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes

Published on : Jan 16, 2016

See more related videos

Top Related Videos

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Published on : Sep 01, 2023

Assaying Protein Kinase Activity with Radiolabeled ATP

Assaying Protein Kinase Activity with Radiolabeled ATP

Published on : May 26, 2017

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes

Published on : Jan 16, 2016

See more related videos