Sereina Riniker

90PUBLICATIONS

101CO-AUTHORS

Evolutionary computationBiomolecular modelling and designStatistical mechanics in chemistryPolymerisation mechanismsComputational chemistry

Get your video featured.

Publish with JoVE

Get your video featured.

Publish with JoVE

Publications (90)

Sort by Publication Date:

|Jul 01, 2026

Multiscale Neural Network Potential with Anisotropic Message Passing for the Fast and Accurate Simulation of Protein Dynamics and Enzymatic Reactions.

|Jun 23, 2026

Balancing Data Quantity and Quality: Evaluating Curation Strategies for Bioactivity Prediction in Lead Optimization.

|Mar 24, 2026

How well do classical and multiscale QM/MM molecular dynamics simulations capture stereoelectronic effects? A comparative study on atropisomerism.

Domen Pregeljc, Sereina Riniker

|Mar 11, 2026

Structures of ALG3/9/12 reveal the assembly logic of the N-glycan oligomannose core.

J Andrew N Alexander, Shu-Yu Chen, Somnath Mukherjee

|Dec 09, 2025

Unraveling Torsional Preferences: Comparative Analysis of Torsion Motif Torsional-Angle Distributions across Different Environments.

Jessica Braun, Paul Katzberger, Gregory A Landrum

|Nov 22, 2025

Linker Modification Enables Control of Key Functional Group Orientation in Macrocycles.

Christian Brudy, Enrico Ruijsenaars, Christian Meyners

Pageof 15

Frequent Collaborators

12 joint publications

Gregory A Landrum

11 joint publications

Paul Katzberger

10 joint publications

Benjamin Ries

9 joint publications

Philippe H Hünenberger

Emília P Barros

Candide Champion

Salomé Rieder

Felix Pultar

Gerhard König

Marc T Lehner

Frequent Collaborators

12 joint publications

Gregory A Landrum

11 joint publications

Paul Katzberger

10 joint publications

Benjamin Ries

9 joint publications

Philippe H Hünenberger