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Application

Discovery Studio 0.9089852827265685 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05294937296795169 Amorphous Cell 0.2810032512772875 Blends 0.0018578727357176034 CASTEP 0.2954017649790989 CDOCKER 0.15977705527171387 CHARMm 0.25034835113794707 COMPASS 0.34881560613098 COMPASS III 0.11797491871806781 COSMObase 0.004644681839294009 COSMOconf 0.007895959126799815 COSMOmic 0.0 COSMOperm 4.6446818392940084E-4 COSMOplex 4.6446818392940084E-4 COSMOquick 4.6446818392940084E-4 COSMOtherm 0.06409660938225732 Catalyst 0.07059916395726892 Classical Simulations 1.0 Conformers 4.6446818392940084E-4 Crystallization 0.07710171853228054 DFTB Plus 0.003251277287505806 DMol3 0.13748258244310266 DPD 0.0013934045517882026 Discover 0.004644681839294009 Forcite 0.5387830933581049 GULP 0.013934045517882025 Kinetix 0.0 LUDI 0.003251277287505806 LibDock 0.06781235485369252 LigandFit 0.002786809103576405 MODELER 0.23594983743613562 Mesocite 0.0037157454714352067 Mesoscale 0.004644681839294009 Morphology 0.01764979098931723 ONETEP 9.289363678588017E-4 Polymorph 0.0037157454714352067 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.4268462610311194 Reflex 0.0543427775197399 Reflex Plus 4.6446818392940084E-4 Semi-empirical 0.0037157454714352067 Sorption 0.06641895030190433 Synthia 9.289363678588017E-4 TURBOMOLE 0.0 Visualization 0.6256386437529029 X-Cell 0.0013934045517882026 ZDOCK 0.02740362285183465

Year

2024 0.061606160616061605 2025 0.8936560322698937 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.309145880574452 analysis 0.21768707482993196 docking 0.20962459057697153 visualization 0.1415973796926178 between 0.127236079617032 promising 0.0927185689090451 novel 0.0818846056941295 energy 0.0745779793398841 binding 0.06500377928949358 cell 0.060216679264298315 performance 0.04257999496094734 activity 0.03955656336608718 stability 0.03577727387251197 strong 0.029730410682791635 including 0.02670697908793147 effective 0.013353489543965735 strategy 0.012849584278155708 enhanced 0.009574200050390527 experimental 0.005794910556815319 synthesized 0.005794910556815319 development 0.004031242126480222 design 0.0030234315948601664 mechanism 0.0022675736961451248 therapeutic 0.0
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