New answers tagged structural-biology
0
Answer from @pippo1980, converted from comment:
https://pubs.acs.org/doi/10.1021/acs.jctc.9b01208 Comprehensive Evaluation of Fourteen Docking Programs on Protein–Peptide Complexes
0
Answer from @matteo-ferla, converted from comment:
If command line interface is more suitable for you, you may consider OpenBabel, which can predict Gasteiger charges, protonate at pH 7, accept a smi file of multiple SMILES or a multi-entry sdf file and can output in PDQBT format, but is not quite the same as the python script allows merging and various ...
Top 50 recent answers are included
Related Tags
structural-biology × 20protein-structure × 12
docking × 8
pymol × 5
3d-structure × 4
python × 3
pdb × 3
proteins × 2
protein-protein-interaction × 2
alignment × 1
statistics × 1
genomics × 1
dna × 1
covid-19 × 1
sars-cov-2 × 1
proteomics × 1
software-usage × 1
linear-regression × 1
membrane-protein × 1