Tag: ligands

How to generate multiple conformers of a ligand using OpenBabel?

OpenBabel offers several functions including file format conversion, generation of 3D structures…

Dr. Muniba Faiza Dr. Muniba Faiza

How to generate topology of small molecules & ligands for MD Simulation?

Generating the topology of small molecules/ligands is an important step in molecular…

Dr. Muniba Faiza Dr. Muniba Faiza