Djork-Arné Clevert

13PUBLICATIONS
84CO-AUTHORS
Mathematical aspects of general relativityProcess control and simulationComputational chemistryBiomolecular modelling and designSatisfiability and optimisation
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (13)

|Jul 06, 2026
FLOWR.ROOT - A flow matching-based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction.

|May 28, 2026
FLOWR: flow matching for structure-aware de novo, interaction- and fragment-based ligand generation.

|Mar 29, 2025
Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design.

Alan Kai Hassen, Martin Šícho, Yorick J van Aalst

|Aug 30, 2024
PILOT: equivariant diffusion for pocket-conditioned de novo ligand generation with multi-objective guidance via importance sampling.

Julian Cremer, Tuan Le, Frank Noé

|Jul 04, 2024
A data science roadmap for open science organizations engaged in early-stage drug discovery.

Kristina Edfeldt, Aled M Edwards, Ola Engkvist

|Apr 15, 2024
PypKa server: online pKa predictions and biomolecular structure preparation with precomputed data from PDB and AlphaFold DB.

Pedro B P S Reis, Djork-Arné Clevert, Miguel Machuqueiro

Pageof 3

Frequent Collaborators

5 joint publications

Robin Winter

3 joint publications

Floriane Montanari

3 joint publications

Frank Noé

3 joint publications

Tuan Le