Computational assay of hERG ion permeation and its modulation by small-molecule compounds

MechGate: combining mechanism-derived measures of permeation and efflux to screen small molecule drugs targeting Escherichia coli
Lang Qin, Jagath C Rajapakse
arXiv24 Oct 2026PreprintCC BY 4.0Full textBiophysicsarXiv
Single molecule Grb2 dynamics reveal spatiomechanical modulation of RTK signaling across length scales
K. Jain, D. Thakar, K. Parihar +9
bioRxiv6 Oct 2026PreprintAll rights reservedFull textBiophysicsbioRxiv
Single-Molecule Nanopore Sequencing of the TERT Core Promoter CpG Island Reveals PQS-Associated Strand Asymmetry of De Novo Methylation and Its Modulation by Photo-Oxidation
Alexander Sergeev, Adelya Genatullina, Viktoria Snyga +4
International Journal of Molecular Sciences15 Oct 2026Peer-reviewedCC BY 4.0Full textMolecular biology & gene regulationCrossrefEurope PMC
Computational identification of candidate biomarkers and compounds associated with skeletal muscle insulin sensitivity improvement mediated by physical activity: an integrative multi-omics and computational chemistry study.
Hong Liu, Zicheng Liang, Jun Tan +1
Frontiers in bioinformatics7 Oct 2026Peer-reviewedCC BYFull textMolecular biology & gene regulationEurope PMC
Bioactive small-molecule gas delivery for enhanced bone regeneration: modulation of cellular signaling and remodeling of the regenerative microenvironment.
Zhou Zhong, Biao Cao, Xin Duan
Frontiers in cell and developmental biology12 Oct 2026Peer-reviewedCC BYFull textGeneral biochemistryEurope PMC

Cite

BibTeX

@misc{manoza2026computational,
  title = {{Computational assay of hERG ion permeation and its modulation by small-molecule compounds}},
  author = {I. Manoza and V. Gapsys and W. Kopec},
  howpublished = {bioRxiv},
  year = {2026},
  month = oct,
  doi = {10.64898/2026.10.21.760785},
  url = {https://www.biorxiv.org/content/10.64898/2026.10.21.760785v1},
}

RIS

TY  - UNPB
TI  - Computational assay of hERG ion permeation and its modulation by small-molecule compounds
AU  - I. Manoza
AU  - V. Gapsys
AU  - W. Kopec
PY  - 2026
DA  - 2026/10/21
PB  - bioRxiv
DO  - 10.64898/2026.10.21.760785
UR  - https://www.biorxiv.org/content/10.64898/2026.10.21.760785v1
ER  -

Related

Cite