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Application

Discovery Studio 1.0 Materials Studio 0.41245928338762217 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.048327137546468404 Amorphous Cell 0.14646840148698884 Blends 0.001486988847583643 CASTEP 0.22156133828996283 CDOCKER 0.22304832713754646 CHARMm 0.33605947955390336 COMPASS 0.23568773234200743 COMPASS III 0.02379182156133829 COSMOconf 7.434944237918215E-4 COSMOquick 0.0 COSMOtherm 0.02825278810408922 Catalyst 0.158364312267658 Classical Simulations 0.7650557620817844 Conformers 0.0 Crystallization 0.04907063197026022 DFTB Plus 0.0052044609665427505 DMol3 0.09739776951672863 DPD 7.434944237918215E-4 Discover 0.0 Forcite 0.29814126394052043 GULP 0.017100371747211896 LUDI 0.0052044609665427505 LibDock 0.08401486988847584 LigandFit 0.007434944237918215 MCSS 0.001486988847583643 MODELER 0.3308550185873606 MesoDyn 7.434944237918215E-4 Mesocite 7.434944237918215E-4 Mesoscale 0.002973977695167286 Morphology 0.011152416356877323 ONETEP 0.0 Polymorph 0.001486988847583643 QSAR 0.0 Quantum Mechanics 0.3159851301115242 Reflex 0.035687732342007436 Semi-empirical 0.006691449814126394 Sorption 0.0275092936802974 Synthia 0.001486988847583643 TURBOMOLE 7.434944237918215E-4 VAMP 7.434944237918215E-4 Visualization 1.0 ZDOCK 0.0379182156133829

Year

2024 0.0

Keywords

target 1.0 docking 0.3557659790328035 potential 0.3405478525532634 visualization 0.2705444707473791 analysis 0.2110246871829557 binding 0.12242137301318905 between 0.11126141359485965 novel 0.10957051065268854 activity 0.10787960771051741 protein 0.06560703415623943 promising 0.03922894825836997 interaction 0.033818058843422386 vitro 0.03178897531281705 synthesis 0.02874535001690903 silico 0.025025363544132567 synthesized 0.022996280013527222 compound 0.021981738248224553 treatment 0.012512681772066284 effective 0.009130875887724045 drug 0.00879269529928982 development 0.008116334122421373 cell 0.003043625295908015 therapeutic 6.763611768684477E-4 inhibition 3.3818058843422386E-4 including 0.0
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