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Application

Discovery Studio 0.7463546965072906 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06102877070619006 Amorphous Cell 0.29642545771578027 Blends 0.002179598953792502 CASTEP 0.33783783783783783 CDOCKER 0.13993025283347865 CHARMm 0.22885789014821273 COMPASS 0.36704446381865735 COMPASS III 0.10810810810810811 COSMObase 0.0052310374891020054 COSMOconf 0.005666957279860506 COSMOperm 0.0 COSMOplex 0.0 COSMOquick 0.0017436791630340018 COSMOtherm 0.06495204882301657 Catalyst 0.05884917175239756 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07454228421970358 DFTB Plus 0.004795117698343505 DMol3 0.16216216216216217 DPD 0.002179598953792502 Discover 0.005666957279860506 Forcite 0.5483870967741935 GULP 0.023539668700959023 Kinetix 0.0 LUDI 0.0026155187445510027 LibDock 0.06015693112467306 LigandFit 0.0026155187445510027 MODELER 0.2153443766346992 MesoDyn 8.718395815170009E-4 Mesocite 0.002179598953792502 Mesoscale 0.004795117698343505 Modules 0.0 Morphology 0.016564952048823016 ONETEP 0.0 Polymorph 0.0034873583260680036 QMERA 0.0 QSAR 4.3591979075850045E-4 Quantum Mechanics 0.486922406277245 Reflex 0.05318221447253706 Reflex Plus 8.718395815170009E-4 Semi-empirical 0.005666957279860506 Sorption 0.06277244986922406 Synthia 8.718395815170009E-4 VAMP 0.0 Visualization 0.56974716652136 X-Cell 0.0017436791630340018 ZDOCK 0.025283347863993024

Year

2024 0.18277382163445235 2025 1.0 2026 0.71617497456765 2027 0.0

Keywords

target 1.0 potential 0.2898250460405157 analysis 0.20349907918968693 docking 0.17173112338858196 between 0.15400552486187846 visualization 0.12039594843462247 energy 0.10290055248618785 novel 0.08862799263351749 promising 0.08195211786372007 cell 0.07021178637200737 performance 0.05985267034990792 binding 0.053406998158379376 stability 0.040515653775322284 including 0.02394106813996317 activity 0.02117863720073665 enhanced 0.020718232044198894 strong 0.020257826887661142 experimental 0.018646408839779006 effective 0.017265193370165747 development 0.008517495395948435 strategy 0.008057090239410682 synthesized 0.007826887661141806 mechanism 0.004143646408839779 design 6.906077348066298E-4 interaction 0.0
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