12. Glossary of Terms

12. Glossary of Terms

ANP: Atrial Natriuretic Peptide

ADP: Adenosine Diphosphate 

CPU: Central Processing Unit

cdx file: ChemDraw Exchange (file extension)

GPU: Graphics Processing Unit

IC50: Half Maximal Inhibitory Concentration 

Kd: Dissociation Constant

Ki: Inhibition Constant

Minimised Affinity: Binding Affinity (given by SMINA)

MOE: Molecular Operating Environment

MW: Molecular weight

NMR: Nuclear magnetic resonance

PDB code: 4-character ID code issued by the Protein Data Bank

pdb file: Protein Data Bank File (file extension)

RFScore: Docking Score (given by SMINA)

sdf file: Structure-Data File (file extension)

TPSA: Total Polar Surface Area

UMA: Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine

UCL Cluster: A collection of computational powers networked together as a systematic functioning centre in UCL

VS: Virtual Screening

VPN: Virtual Private Network