Тэги:
#docking #molecular_docking #pyrx #easydockvina #chimera #swisspdb #energy #minimization #torsion #pdb #pdbqt #charge #discovery_studio #ligplot #ligplus #ligands #protein #target #receptor #active_site #amino_acid #small_molecule #bond #grid_box #pdb_sum #qsar #computer #drug_design #drug_discovery #schrodinger #glide #gold #desmond #gromacs #energy_minimization #conformation #pose #sdf #mol #mol2 #open_babel #marvin #chemdraw #chemsketch #3D #2D #binding_site #molecular_mechanics #quantum_mechanics #NPACT #pubchemКомментарии: