De novo Design of a Vanadium Haloperoxidase

DEG2MOL: Conditional Latent Flow Matching for Transcriptome-Guided de novo Drug Design
Songhyeon Kim, Wootaek Lim, Hawon Lee +3
ACS omega19 Oct 2026Peer-reviewedCC BYFull textGeneral chemistryEurope PMC
Pharmacophore-Conditioned Diffusion Model for Ligand-Based De Novo Drug Design
Amira A. Alakhdar, Barnabás Póczos, Newell R. Washburn +1
Journal of Chemical Information and Modeling27 Oct 2026Peer-reviewedCC BYFull text5 citedMedicinal chemistry & drug discoveryOpenAlex
Target-Specific De Novo Drug Design via Fine-Tuned Language Models and Molecular Docking, Molecular Dynamics Simulation Validation
Phuong Nguyen
ChemRxiv28 Sep 2026PreprintCC BYFull textGeneral chemistryChemRxiv
Comprehensive Chemical Space Exploration in De Novo Drug Design: An Algorithmically Constrained, Parallel Dual-Paradigm Framework Validated on BACE1
Thang T. Dang, Mai N. Luong
ChemRxiv16 Sep 2026PreprintCC BYGeneral chemistryChemRxiv
AI-guided De Novo design of DHPS inhibitors.
Hongchul Shin, Kyuhyeon Bang, Ingyo Park +2
Journal of cheminformatics5 Aug 2026Peer-reviewedCC BY-NC-NDFull textTheoretical & computational chemistryEurope PMCPMC

Cite

BibTeX

@misc{herold2026novo,
  title = {{De novo Design of a Vanadium Haloperoxidase}},
  author = {R. A. Herold and L. A. Carson and K. J. Anderton and K. J. Griffith and F. A. Tezcan},
  howpublished = {bioRxiv},
  year = {2026},
  month = oct,
  doi = {10.64898/2026.10.16.759729},
  url = {https://www.biorxiv.org/content/10.64898/2026.10.16.759729v1},
}

RIS

TY  - UNPB
TI  - De novo Design of a Vanadium Haloperoxidase
AU  - R. A. Herold
AU  - L. A. Carson
AU  - K. J. Anderton
AU  - K. J. Griffith
AU  - F. A. Tezcan
PY  - 2026
DA  - 2026/10/16
PB  - bioRxiv
DO  - 10.64898/2026.10.16.759729
UR  - https://www.biorxiv.org/content/10.64898/2026.10.16.759729v1
ER  -

Related

Cite