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Application

Discovery Studio 1.0 Materials Studio 0.8394648829431438 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05003734129947722 Amorphous Cell 0.2591486183719193 Blends 0.0 CASTEP 0.2793129200896191 CDOCKER 0.18894697535474234 CHARMm 0.29873039581777444 COMPASS 0.32113517550410753 COMPASS III 0.10828976848394324 COSMObase 0.004480955937266617 COSMOconf 0.008215085884988798 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 7.468259895444362E-4 COSMOquick 7.468259895444362E-4 COSMOtherm 0.06572068707991038 Catalyst 0.08065720687079911 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07617625093353249 DFTB Plus 0.004480955937266617 DMol3 0.13741598207617625 Discover 7.468259895444362E-4 Forcite 0.4958924570575056 GULP 0.01568334578043316 Kinetix 0.0 LUDI 0.0037341299477221808 LibDock 0.07916355489171023 LigandFit 0.002987303958177745 MODELER 0.2994772218073189 Mesocite 0.0022404779686333084 Mesoscale 0.0022404779686333084 Morphology 0.018670649738610903 ONETEP 7.468259895444362E-4 Polymorph 0.0014936519790888724 QMERA 0.0 Quantum Mechanics 0.4107542942494399 Reflex 0.0537714712471994 Semi-empirical 0.00597460791635549 Sorption 0.06497386109036594 Synthia 7.468259895444362E-4 VAMP 0.0 Visualization 0.743091859596714 X-Cell 0.0 ZDOCK 0.029873039581777446

Year

2024 0.10781990521327015 2025 1.0 2026 0.9964454976303317 2027 0.0

Keywords

target 1.0 potential 0.3525641025641026 docking 0.25904977375565613 analysis 0.2383107088989442 visualization 0.1832579185520362 between 0.13122171945701358 novel 0.09954751131221719 promising 0.0969079939668175 binding 0.09577677224736049 energy 0.06221719457013575 cell 0.053167420814479636 activity 0.05165912518853695 stability 0.04487179487179487 including 0.03205128205128205 strong 0.021493212669683258 performance 0.01885369532428356 effective 0.017345399698340876 development 0.014705882352941176 synthesized 0.010935143288084464 therapeutic 0.010180995475113122 protein 0.00942684766214178 strategy 0.00904977375565611 mechanism 0.008295625942684766 interaction 0.0022624434389140274 synthesis 0.0
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