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Results for “protein-simulation”

7 skills
k-dense-ai
molecular-dynamics
Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein/small molecule systems, define force fields, run energy minimization and production MD, analyze trajectories (RMSD, RMSF, contact maps, free energy surfaces).
30.2k · bundle
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neuralblitz
biophysics
Applies physical principles to model biological systems, including protein folding, membrane transport, molecular forces, and neural signaling.
1
k-dense-ai
diffdock
Predict 3D binding poses of small molecule ligands to protein targets using diffusion-based molecular docking, supporting single complexes, batch processing, and virtual screening.
30.2k · bundle
k-dense-ai
glycoengineering
Analyze and engineer protein glycosylation by scanning sequences for N-glycosylation sequons, predicting O-glycosylation hotspots, and accessing curated glycoengineering tools for therapeutic antibody optimization and vaccine design.
30.2k · bundle
samyakjhaveri
paper-review-sim
Simulates a NeurIPS/SC/ICSE-style peer review with five reviewer personas (HPC, ML, Stats, Reproducibility, Devil's Advocate) that verify every claim against actual result data before submission.
0
k-dense-ai
tamarind
Run computational biology tools for protein structure prediction, design, docking, and molecular dynamics on managed cloud GPUs via REST API or MCP server.
30.2k · bundle
gabrielmoreira
proteomics-de
Performs differential expression analysis on label-free quantitative (LFQ) proteomics data from MaxQuant and DIA-NN outputs, including preprocessing, imputation, statistical testing, and visualization.
17 · bundle