Demo Data from VLDB 2026 / reviewers in the wild / expert
Guido Giannetti
dblp:441/6647
· DBLP profile ↗
1ranked-venue papers
1as first author
1since 2021 · last 2026
0009-0001-3612-5505ORCID · reported
Domains — the database's venue-derived domains; a paper can count in several
Applied, interdisciplinary, general and emerging computing · 1 · 1 first-author · 1 since 2021
Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.
| Interdisciplinary, comprehensive, and emerging computing
1 paper |
Computational science and engineering · 50% Bioinformatics and computational biology · 50% |
Topics — the 2 heaviest of 2, each with the papers that count most for it
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Computational science and engineering › computational chemistry › molecular simulation
molecular dynamics |
1.0 | 1 | 2026 | Introducing non-enzymatic crosslinks into atomistic simulations of collagen fibrils · Bioinform. 2026 |
Bioinformatics and computational biology
structural bioinformatics |
1.0 | 1 | 2026 | Introducing non-enzymatic crosslinks into atomistic simulations of collagen fibrils · Bioinform. 2026 |
Methods — techniques the papers use, named apart from their topics
quantum mechanics optimization · 1.0all-atom molecular dynamics · 1.0
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2026 | Introducing non-enzymatic crosslinks into atomistic simulations of collagen fibrilsabstractMOTIVATION: Collagen fibrils are the primary load-bearing units of connective tissues. However, generating atomistic, simulation-ready models remains challenging due to collagen's hierarchical organization and the diversity of its crosslinking network across tissues, ages, and metabolic states. Notably, non-enzymatic advanced glycation end-product (AGE) crosslinks-central to aging and diabetic complications-are largely absent from current atomistic fibril modelling workflows. RESULTS: Here, we present an extension of the ColBuilder framework to generate atomistic collagen fibril models that incorporate three representative AGE-derived crosslinks (glucosepane, pentosidine, and MOLD) alongside enzymatic crosslinks. Amber99-compatible parameters are provided and assessed against QM-optimized reference geometries using all-atom molecular dynamics (MD) simulations. As proof-of-concept, we examine the mechanical response of single D-period collagen microfibrils featuring enzymatic-only, AGE-only, and mixed crosslink patterns in molecular dynamics simulations under force, and observe that AGE crosslinks differently impact the fibril structure compared to enzymatic crosslinks. The extension to ColBuilder can aid future structure-based research on collagen aging. AVAILABILITY AND IMPLEMENTATION: ColBuilder is available as an open-source Python command-line package at https://github.com/graeter-group/colbuilder. Guido Giannetti, Justin Pils, Frauke Gräter, Debora Monego, Christoph Dellago |
Bioinform. | 1 |