ion-channels

🔬 OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field

Python toolbox for creating and validating single-cell neuronal models with active dendrites.

Collection of experimental protocols in common patch clamp formats for rapid characterisation of ion channels

Rapid characterisation of hERG channel kinetics

The Website of the Ramiréz Lab

🔬 Scripts for analyzing molecular dynamics trajectories of nanopores under the influence of an external electric field

Curated data deposit for the CardioSafe cardiac ion channel benchmark: labels, Tanimoto-controlled splits (tan70 / tan60), and supplementary artifacts for hERG, Nav1.5, Cav1.2, and IKs.

Why the best genetically validated pain target keeps failing in the clinic: a genetic–pharmacological asymmetry at Nav1.7 (SCN9A), worked through single-cell atlases, a homeostatic-compensation model and human genetics.

VMDPathFinder is a trajectory-aware molecular-pathway analysis and annotation environment for VMD, with pore and tunnel geometry, hydration free-energy profiles, compiled acceleration, and live 3D visualization.

VGIchan: Prediction and Classif ication of Voltage-Gated Ion Channels

Python scripts for analysis and vizualization of protein-peptide interactions from AutoDock CrankPep docking results

Large language models for predicting ion channels modulating proteins

gHH: Generalised Hodgkin–Huxley Model

thesis defense presentation

Recomputes every number and calculated figure in Colquhoun & Lape (2012, J. Gen. Physiol.) from the published rate constants — Figs. 6, 7 and 8, Table 1, and the quantities quoted in the text. Accompanies a corrigendum. Executed in CI against a pinned SCALCS release.

This is a simulation which emulates neurons behavior by representing local potentials in a neuron generated by interactions between neurotransmitters and ionic channels. The purpose is to connect them in order to simulate intelligent life but, for now, this is just one neuron.

Reproducibility repository for a single-cell analysis of cardiac ion-channel expression across cell type and development, relevant to anti-Ro/SSA congenital heart block.

QSAR pipeline for pendrin (SLC26A4) inhibitors | RDKit + ML | Dr. Joy Karmakar

All experimental data was generated at the "Cell Biology of Ion Channels" Lab at NISER, Bhubaneswar, under the guidance of Prof. Chandan Goswami.