Index

Symbols

3D Modeling page, [1], [2], [3], [4], [5], [6]

3D modeling page

A

AlphaFold2 AMI Analyze page, [1], [2], [3], [4], [5] apo protein

apo proteins apoprotein protein preparation asymmetric unit AUC

B

B-factor BAR

biological unit Biomodeler bug-fix release

C

canonical isomeric SMILES canonical SMILES chiral atom chiral bond CIP collection search color data conformer

conformers conversion design unit cost floe CPK CSV cube cubes CUDA CXSMILES

D

data color dataset filtering

design unit, [1], [2], [3] conversion dock docked poses docking

E

excipient

F

FASTA FastROCS, [1] feature release file-name output files non-dataset

filtering dataset fingerprint floe cost Floe page, [1], [2], [3], [4], [5], [6], [7], [8], [9], [10] floes

G

GRASP

Guide to Pharmacology

H

hit lists

hot keys

I

in-memory InChI

InChIKey induced-fit posing Iridium, [1]

J

JSON

K

keys hot

L

LINGO link shareable snapshot

M

MACCS MakeReceptor marching cubes memory-mapped module modules

MOL molecules select Monte Carlo multiple protein target in shape search

N

non-dataset files

nonterminal atom

O

OEB Orion back end

Orion Platform output file-name

P

package packages pausing popcount preliminary API preparation apoprotein, protein protein

project protein preparation preparation apoprotein protein target in shape search multiple single

R

raster image ratings star receptor

receptor constraints receptors resuming ROC curve rotatable bond

S

savings script scripts SDF search collection SiteHopper select molecules shape searches shard shareable link single protein target in shape search

SiteHopper search SMARTS SMILES SMIRKS snapshot link SPRUCE Spruce, [1] stable API star ratings stereo atom stereo bond structural key SVG

T

Tanimoto

Tile View

V

vector image

Z

zwitterion

zwitterionic