Index

2D to 3D conversion, 81Vertex, 4
2d, 81.2abagyan, 1
2dto3d, 81.2about, 1
     chemicals, 76abstractsub, 5.3
3d, 81.2activeicm, 72, 72.1
ADME, 59, 68, 75     release notes, 72.1
AI, 53.8     user guide, 121
Abagyan, 2.3.9activeicmjs, 71
ActiveICM, 138activeicmjstech, 70
Bristol Myers Squibb, 4address, 2
DNA, 53alignments, 50, 53
E3 Ligase, 106amino acids, 55
Enamine, 53.6, 104andrew orry, 1
Estrogen Receptor, 81.6android, 73
Excel, 54animations, 2.3
Fullerton, 2.3.2annotation, 74
GINGER, 53.7apf, 53.2, 72.4, 72.5, 81.4, 81.5, 102, 105
GPU, 53.4.1apfmodels, 72.4
Giga Screen, 53.6arman, 1
GigaScreen, 53.6asia, 2.3.7
Green Chemistry, 81.6atomic property field, 53.2
GreenChem, 81.6          fields, 72.3, 72.4, 102
HTML5, 81.8.2automatic, 2.3
Herg, 59beehive, 18
IUPAC, 55bicyclics, 55
Java Script, 81.8.2bind, 53
MD, 43bioinformatics, 3
ML, 53.8blocks, 79.5
Merck, 4browser, 18, 23, 41
Molecular Editor, 81.8.2     pro license, 41.1.1
     weight, 55          platforms, 41.1.2
Molsoft News, 2.2browser-pro, 41
Monsanto, 4     pro, 89
Novartis, 4building, 79.5
PBS for lunix cluster, 53.1.1burnham, 2.2
PK, 68cancer, 5.20
PLoS ONE, 138careers, 5
PROTAC, 106carriers, 9
REAL, 53.6, 104case studies, 99
RIDE, 105cereblon, 106
RIDGE, 53.4.1charity, 3.2
RNA, 53chembl, 5.9
RTCNN, 53.6, 53.8chembl_workshop, 5.9
Scripps, 2.3.9chemical, 75, 81, 81.7
Structural Genomics Consortium, 2.3.1     cartridge, 79.2, 81.7
TSRI, 2.3.9     clustering, 62
UK, 5.8     collections, 79.3
University of Oxford, 2.3.1     database, 65
V-Synthes, 53.4     editor, 55
VHL, 106     file type, 54

     library, 63documentary, 5.20
     plots, 67documents, 2.3
     property, 59download, 13
          prediction, 59draw, 75
     search, 57     compounds, 55
          pharmacophore, 58drug, 53, 53.2, 81
     spreadsheet, 56, 68     design, 3, 53.2.1, 80, 101
     substructure, 68     likeness, 44
     superposition, 77, 102drugability, 81.8
     table, 68druglikeness, 81.8
     vendors, 79.3eBioinformatics, 2.3.10
     clustering, 62ebio, 2.3.10
     file, 54edit ligand, 101
     property.monitor, 55editor, 75
     search, 57effect of mutation, 48
chemicals, 79.4, 79.5, 79.5.1electrostatics, 53, 72.2.1
cheminformatics, 3, 68, 80eln, 72.6
chemistry, 18, 81.2email, 2
chemistry_tools, 51embed, 71, 72
children, 3.2embedppt, 98
chirality, 75emperor of all maladies, 5.20
chrome, 71enumeration, 63
cloud, 107eugene, 1
     computing, 107european workshop, 5.8
cluster, 75evaluate, 22
comp, 16evaluation, 135
competition, 141     feedback, 118
compound, 81.2, 81.7eventreg, 5.15
compounds, 79.4, 79.5, 79.5.1fakesec, 136
consulting, 80feature comparison, 139
contacts, 2fingerprint, 72.3.1, 72.5
converter, 81.2     models, 72.3.1
crystallographic_analysis_tools, 45firefox, 71, 72, 72.1
csv, 54first place, 141
customer, 80flexibility, 100
customers, 4flexible, 53.2, 53.2.1
d3r, 141focus, 5.20
d3r_success, 141free, 23
database, 53.2, 53.2.1, 79.2, 79.3full, 53
dec08, 143.2full073004, 2.3.2
decomposition, 63genesoft, 2.3.4
degradation, 106getbrowser, 87
demo, 132giga search, 104, 105
demo1107, 134gingerdemo, 81.5
design, 53.2glues, 106
dfaModels, 72.5gnf, 2.3.8
directions, 2grants, 2.2
dlid, 44graphics, 5.21, 5.22, 5.23
dock, 101     gallery, 5.21
docking, 3, 53, 53.2, 53.2.1, 80, 100, 107, 133, 141help, 14, 133, 140

hitachipr, 2.3.7icm_browser_superimpose, 28
homology, 3, 18, 53, 79.1icm_browser_views, 34
hotels, 5.2.3icm_docking_comp, 5.6
howto, 133icm_pro, 53
html, 2.3icmpocketfinder, 44
hybrid, 72.5icmugm12, 5.1
hyperlinked text, 2.3imdp, 2.3
iMolview, 73     silico, 81.8
icb file, 41induced fit, 100
          writer, 41          docking, 100
icm, 6, 18, 23, 53, 53.2.1install acticm linux, 85
     browser, 23          mac, 86
          pro tutorials, 122          win, 84
          screenshots, 30     browser linux, 21
          tutorials, 121.1          mac, 20
     chemist, 68          win, 19
          cluster, 95installing icm for cluster, 53.1
          pro, 75interaction diagram, 64
               qsar, 79internet explorer, 72
               webinar, 5.11.1ipad, 73, 92
          spreadsheet, 94iphone, 73
          tutorials, 122.1isostere, 105
          webinar, 5.11jan11, 143.1
     cloud, 107japan, 2.3.7
     command language, 15job, 5
     objects, 24     opportunites, 9
     pocket finder, 44     queues, 53.1.1
     scarab, 72.6jobs, 9
     user group meeting, 5.1, 5.2july08, 143.4
icm-browser, 23knime, 72.7
icm-pro, 18     nodes, 72.7
icmPocketFinder, 3la, 5.18
icm_bioinformatics, 50learn, 75
icm_browser, 23legal, 11.1, 11.2
icm_browser_alignments, 27ligand editor, 101
icm_browser_distance, 33likeness, 81
icm_browser_file, 24linker, 106
icm_browser_graphics, 35linux cluster, 53.1
icm_browser_molecular_graphics, 26location, 2
icm_browser_pro, 41logP, 75, 81.8.1
icm_browser_pro_alignments, 40logS, 81.8.1
icm_browser_pro_crystallography, 38logo, 72.2
icm_browser_pro_mesh, 29logos, 93
icm_browser_pro_molecular_documents, 41.1logp, 81.8
icm_browser_pro_movies, 36logs, 81.8
icm_browser_pro_plots, 32logsw, 81.8
icm_browser_pro_spreadsheets, 39london, 5.8
icm_browser_pro_structure_analysis, 37london_workshop 2015, 5.8
icm_browser_pro_superimpose, 31loop, 3
icm_browser_search_pdb, 25main, 122.2

markush, 63, 68pbs, 5.20, 53.1.1
max, 1     documentary, 5.20
meet09, 5.2pc, 2.1
meetmap, 5.2.1pdb, 24, 74, 81.1
microsoft, 72pdbv, 81.1
minimize, 101pharmacophore, 102
missing, 82     search, 58, 61
model, 79.1phone, 2
modeling, 3, 53, 80, 106plexus, 2.3.5
mol, 24, 53.2, 79.3plexusvaccine, 2.3.5
mol2, 24plosone, 138
molcart, 18, 79.2, 79.3, 79.4, 79.5, 79.5.1, 81.7pocket, 3, 53
     compounds, 79.3pockets, 44
molecular, 2.3, 81.7polar surface area, 81.8.1
     dynamics, 43     lam, 1
     viewer, 23position, 9
molecular_graphics, 52powerpoint, 72
moledit, 81.8.2predict, 75
molgnfpressrapril12, 2.3.8prediction, 79.1, 80, 81.8, 81.8.1
molscreen, 72.3, 72.4, 72.5presentations, 2.3, 41
molsoft, 1, 5.20, 81.7, 81.8price, 89
mpex, 2.3.3privacy policy, 11.2
mpex061803, 2.3.3pro, 53
mpo, 60product gallery, 5.23
mprop, 81.8     galleryold, 12
mpropdesc, 81.8.1     prices, 89
msearch, 81.7products, 18
multi parameter optimization, 60properties, 81.8.1
multiple slides, 41protac, 106
     views, 41protein, 23, 53, 74
mutation, 48     structure, 41
     prediction, 48protein-protein interactions, 81
mysql, 79.2protein_protein_docking, 47
neural network, 53.8, 81.3protein_structure_analysis, 42
     features, 140protein_structure_prediction, 49
     icm browser, 69publications, 6, 11
     version, 140published, 11
news, 2.2qsar, 72.3.1, 75
newsletter, 143queuing program, 53.1.1
non-commercial, 89rapf, 81.4
nonredundant chemical database, 79.3raush, 1
notebook, 72.6rebel, 72.2.1
notes, 72.1receptor, 53, 53.2, 53.2.1, 100
novartis, 2.3.8, 5.20, 107references, 6
nra, 93refinement, 3
oct08, 143.3release, 72.1
oda, 83results, 11
openMM, 43rgroup, 63
openings, 9rigid, 81.4, 81.5
papers, 11rings, 55

rna, 108          protein docking, 117
     drug design, 108          virtual ligand screening, 116
rotation, 2.3superimpose, 81.4, 81.5
ruben, 1support, 2, 14
sandiegofire, 3.2swissprot, 74
     analysis, 61switch_to_icm, 5.5
scaffold hopping, 102syrrx, 2.3.6
scarab, 72.6teaching, 2.2
score, 53.8technology, 3
scoring, 53.8templates, 55
screen, 80terms of use, 11.1
screening, 53.2, 79.4, 79.5.1, 100, 141test, 96
screenshot gallery, 5.22testimonials, 97
scripting, 15testpub, 10
scripting_tutorials, 15tl, 5.19
scriptreg, 5.12tortool, 81.3
sdf, 53.2, 54, 79.2, 79.3tosion, 81.3
search, 75, 81.7, 91totrov, 1, 102
sequence, 50, 79.1tox, 75
servers, 81toxicity, 59
service, 131training, 3.1, 5.7, 5.11.2, 5.12, 5.15, 5.17
services, 72.3, 80trainingreg, 5.17
sgc, 2.3.1transaction void, 90
similarity search, 81.7transitions, 2.3
simulation, 53trial, 22, 135
sitemap, 142     license, 22
sketch.compounds, 55tsri, 2.3.9
slides, 2.3, 41tutorials, 120
small.molecule.drug, 55     feedback, 119
small_molecule_docking, 46ugm2016, 5.16
smooth view transitions, 41ugmArchives, 5.13
software development, 3, 80ultra large libraries, 53.4.1
solubility, 81.8.1          screening, 53.3
speak09, 5.2.4unsubscribe, 7
speakermap, 5.2.2update, 140
stereoisomers tautomers, 78upgrade, 88
structure, 74, 79.1     synthes, 53.4
     prediction, 3vaccine, 2.3.5
structure-based, 3vendors, 79.5.1
student, 89version372, 137
subscribe, 8video activeicm1, 128
substructure, 104     activeicm2, 129
     search, 81.7     dock1, 130
success stories, 109     ligand editor1, 125
          gpcr competition, 110          editor2, 126
               familyA, 111          editor3, 127
               familyB, 112     pdb1, 123
          induced fit, 115     pdb2, 124
          kinases, 113view PDB, 81
          nuclear receptor, 114     protein viewer, 41

virtual, 53.2, 79.5.1, 80 
     screening, 3, 53.2.1, 72.3, 81.8, 105, 107 
vls, 3, 18, 53.2, 100 
     on cluster, 53.1 
vsynthes, 53.4 
water solubility, 81.8 
web demos, 5.11.2 
webinar, 5.10, 5.11.2, 5.14 
     archives, 5.14 
     free chemist training learn cheminformatics, 5.11, 5.11.1 
webinar_registration, 5.11.2 
webinar_signup, 5.10 
whats new, 140 
which_product, 17 
workshop, 3.1, 5.1, 5.4, 5.7, 5.8, 5.12, 5.15, 5.17 
workshops, 2.2 
ws0905, 3.1 
xpdb, 18, 74