Skip to content
DraconiticResearch
Search Sources API
203,203 studies31 sourcesUpdated 45 min ago
PreprintLicence not statedChemRxiv

Integrating artificial intelligence and molecular simulation for peptide discovery: limitations, validation and decision-centered workflows

  • Xu Wu1
  • Wei Fu1
  1. 1Shenzhen UniBindMD Computation Biotech Ltd. Co.
Open at sourceDOICite

Related

  1. Fractal-Inspired Biorefineries for Sustainable Polymer Production: A Conceptual Framework Integrating Artificial Intelligence and Industry 5.0
    Young Chan Ko, Soon Wan Kweon, Yong Ju Lee +2
    PolymersPeer-reviewedCC BY 4.0Full textMaterials & polymersCrossrefEurope PMC
  2. Docking Simulation and Artificial-Intelligence-Assisted Molecularly Imprinted Polymer Electrochemical Sensor for the Detection of Cancer Biomarkers
    Phan Gia Le, Sungbo Cho
    ACS OmegaPeer-reviewedCC BY-NC-ND 4.0Full textGeneral chemistryCrossref
  3. Integrating Artificial Intelligence Into Drug Discovery From Medicinal Plants: Current Applications and Infrastructural Challenges
    Amit Gangwal, Azim Ansari, Mohd Usman Mohd Siddique +3
    Chemical Biology & Drug DesignPeer-reviewedCC BY6 citedMedicinal chemistry & drug discoveryOpenAlex
  4. Artificial Intelligence-Assisted Engineering of Nanocomposite Corrosion Protection Materials: A Critical Review of Machine Learning, Molecular Simulation, and Experimental Verification
    Kufre Essien, Akanimo N. Ekanem, Aniedi E. Nyong +4
    Materials and DevicesPeer-reviewedCC BY-NC-NDFull textPhysical chemistryDOAJ
  5. Generative and Foundation-Model Artificial Intelligence in Food Safety Analysis, Authenticity Identification, and Quality Control: A Systematic Review of Validation and Decision Readiness.
    Zied Bahroun, Mohamed Amine Abdeljaouad
    Foods (Basel, Switzerland)Peer-reviewedCC BYFull textAnalytical chemistryEurope PMC

Cite

BibTeXRIS
BibTeX
@misc{wu2026integrating,
  title = {{Integrating artificial intelligence and molecular simulation for peptide discovery: limitations, validation and decision-centered workflows}},
  author = {Xu Wu and Wei Fu},
  howpublished = {ChemRxiv},
  year = {2026},
  month = nov,
  doi = {10.26434/chemrxiv.15011555/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011555/v1},
}
RIS
TY  - UNPB
TI  - Integrating artificial intelligence and molecular simulation for peptide discovery: limitations, validation and decision-centered workflows
AU  - Xu Wu
AU  - Wei Fu
PY  - 2026
DA  - 2026/11/02
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011555/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011555/v1
ER  -