Skip to content
Log in
Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Author

C. Oostenbrink

h-index 52 View on Semantic Scholar

We have 3 of 296 papers

We haven’t gathered this author’s papers yet. Follow them and we’ll fetch their work.

Not the right person? Other researchers publish under this name.

#software testing Open access Oct 2026

GroScore: Automated Scoring of Protein–Protein Interactions Using Bidirectional Steered Molecular Dynamics

GroScore is an open-source Python toolkit that automates the scoring of protein–protein structures using bidirectional steered molecular dynamics (SMD) simulations with explicit solvent. Building on a previously published unidirectional pulling approach, the current version introduces bidirectional pulling (unbinding...

J. W. Perthold, Dražen Petrov, C. Oostenbrink · 0 citations
Open access Jul 2026

Unveiling the KRAS Relationship between Affinity and Dynamics: A Molecular Simulations Study

The thermodynamic reasons for the increased stability of the G12C mutant in the active, GTP-bound state are quantified and the use of Accelerated Enveloping Distribution Sampling (A-EDS) to efficiently screen a small set of fragments with the strongest binding affinity is explored.

Nadine Grundschober, Viktorija Dujmovic, C. Oostenbrink et al. · 0 citations
Open access Aug 2026

Buffer Region Embedding for Hybrid Machine-Learned/Molecular-Mechanical Simulations in Complex Environments

The buffer region embedding strategy (BuRNN) is extended for hybrid machine-learned interaction potentials/molecular mechanics (MLIP/MM) simulations in complex environments and is established as a practical approach to perform MLIP/MM simulations in biomolecular systems.

M. Caspary, Radek Crha, Edgar Galicia-Andrés et al. · 0 citations

We use cookies to run the site and, with your consent, for analytics and to show ads. See our Cookie Policy.