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Application

Discovery Studio 1.0 Materials Studio 0.9833948339483395 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05913304936106239 Amorphous Cell 0.27511901779002756 Blends 0.0022550739163117012 CASTEP 0.31996993234778254 CDOCKER 0.17288900025056378 CHARMm 0.27712352793786016 COMPASS 0.3347531946880481 COMPASS III 0.10473565522425457 COSMObase 0.005011275369581559 COSMOconf 0.005512402906539714 COSMOmic 0.0 COSMOperm 5.011275369581559E-4 COSMOplex 2.5056376847907793E-4 COSMOquick 7.516913054372337E-4 COSMOtherm 0.0646454522676021 Catalyst 0.07792533199699324 Classical Simulations 1.0 Conformers 5.011275369581559E-4 Crystallization 0.07191180155349536 DFTB Plus 0.0037584565271861687 DMol3 0.15008769731896768 DPD 0.002756201453269857 Discover 0.005011275369581559 Forcite 0.517664745677775 GULP 0.017288900025056377 Kinetix 2.5056376847907793E-4 LUDI 0.004009020295665247 LibDock 0.07065898271109998 LigandFit 0.0037584565271861687 MODELER 0.2568278626910549 MesoDyn 7.516913054372337E-4 Mesocite 0.003257328990228013 Mesoscale 0.006514657980456026 Modules 0.0 Morphology 0.016537208719619143 ONETEP 0.0010022550739163117 Polymorph 0.0022550739163117012 QMERA 2.5056376847907793E-4 QSAR 5.011275369581559E-4 Quantum Mechanics 0.46053620646454524 Reflex 0.051616136306690055 Reflex Plus 7.516913054372337E-4 Semi-empirical 0.00476071160110248 Sorption 0.055124029065397144 Synthia 0.0012528188423953897 TURBOMOLE 0.0 VAMP 2.5056376847907793E-4 Visualization 0.6995740415935856 X-Cell 0.0015033826108744675 ZDOCK 0.028564269606614883

Year

2024 0.3219954648526077 2025 1.0 2026 0.8326118326118326 2027 0.0

Keywords

target 1.0 potential 0.31232944678739766 docking 0.2292235177375341 analysis 0.22451004713470601 visualization 0.16596378069957826 between 0.14400893078640536 novel 0.09327710245596627 promising 0.09178863805507319 binding 0.07901265194740759 energy 0.07132225254279335 cell 0.06189531133713719 activity 0.049367402629620444 stability 0.04266931282560159 performance 0.03969238402381543 including 0.023319275613991566 effective 0.018605805011163483 strong 0.01736541801041925 synthesized 0.017117340610270405 development 0.015504837509302902 enhanced 0.012527908707516746 mechanism 0.010667328206400397 experimental 0.008682709005209625 interaction 0.006201935003721161 strategy 9.923096005953857E-4 protein 0.0
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