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Application

Discovery Studio 1.0 Materials Studio 0.9503012048192772 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05265546981389015 Amorphous Cell 0.2705401724920563 Blends 0.0022696323195642307 CASTEP 0.27871084884248754 CDOCKER 0.1743077621425329 CHARMm 0.27689514298683615 COMPASS 0.33499773036768044 COMPASS III 0.11529732183386292 COSMObase 0.0040853381752156154 COSMOconf 0.006808896958692692 COSMOmic 0.0 COSMOperm 4.5392646391284613E-4 COSMOplex 4.5392646391284613E-4 COSMOtherm 0.06354970494779846 Catalyst 0.07625964593735815 Classical Simulations 1.0 Conformers 4.5392646391284613E-4 Crystallization 0.07353608715388107 DFTB Plus 0.0031774852473899226 DMol3 0.129822968679074 DPD 0.0013617793917385383 Discover 0.0031774852473899226 Forcite 0.5179300953245575 GULP 0.013617793917385384 Kinetix 0.0 LUDI 0.0022696323195642307 LibDock 0.07172038129822969 LigandFit 0.003631411711302769 MODELER 0.25329096686336816 Mesocite 0.0040853381752156154 Mesoscale 0.004993191103041307 Morphology 0.016341352700862462 ONETEP 9.078529278256923E-4 Polymorph 0.0022696323195642307 QMERA 0.0 Quantum Mechanics 0.4035406264185202 Reflex 0.053563322741715845 Reflex Plus 0.0 Semi-empirical 0.0040853381752156154 Sorption 0.05991829323649569 Synthia 9.078529278256923E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.6804357694053563 X-Cell 0.0013617793917385383 ZDOCK 0.031320926009986386

Year

2024 0.0 2025 0.9929052855622561 2026 1.0 2027 0.0035473572188719402

Keywords

target 1.0 potential 0.3285411265613952 docking 0.23497525335847277 analysis 0.2262550082488805 visualization 0.16757011548432713 between 0.13268913504595806 promising 0.09969361300966298 novel 0.09427292010370021 binding 0.07966061748762668 energy 0.0652839971718124 cell 0.05986330426584963 activity 0.05467829366014612 stability 0.041480084845628096 performance 0.04006599104407259 strong 0.03464529813810983 including 0.03181711053499882 development 0.019797313221777045 mechanism 0.01720480791892529 enhanced 0.016733443318406788 strategy 0.016026396417629037 effective 0.014376620315814282 therapeutic 0.012255479613481028 synthesized 0.009898656610888523 experimental 0.0 interaction 0.0
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