Hi expert in field of structural biology and bioinformatics or chem informatics! I hope you are doing well. I have a request and would appreciate …

Greetings Under the overarching framework of structural bioinformatics, a comprehensive understanding of basic proteomics is essential. Proteomics is the study of proteins on a large …

How can I identify and remove redundant interactions in protein protein interaction datasets from BioGRID?

Hello, I have use DOCK to dock 10 ligands into the protein structure. I want to generate a pdb file that contains all 10 binding …

Hi, I have 33 ligands in total, which were analyzed through SAM. Reported in an article entitled "**Analysis of the major patterns of B cell …

I have a protein structure that is in the Protein Data Bank (PDB) and I am trying to predict ligands that may bind to it. …

Can anyone suggest a reliable parser to extract ligands (coordinates, atom types, et al.) from a PDBML or mmCIF file? I have tried BioPython (http://biopython.org/wiki/The_Biopython_Structural_Bioinformatics_FAQ), …

What about RMSD, how important is and where based it, how calculate rmsd. I use autodock vina, I know that rmsd compare my ligands docking …

<p>I need to programmatically access human protein-protein interactions to retrieve interactions between specific classes of molecules, but there are many protein-protein interactions databases around, especially …

<p>I have done protein docking with some relevant ligands, now i am looking for the best molecules on the basis of highest docked energy and …