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Application

Discovery Studio 1.0 Materials Studio 0.9394703656998739 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05849508109545334 Amorphous Cell 0.2693432597713374 Blends 0.0023929805902685457 CASTEP 0.31507577771869183 CDOCKER 0.17920765753788886 CHARMm 0.28503057697420897 COMPASS 0.3315607551183196 COMPASS III 0.10635469290082425 COSMObase 0.004785961180537091 COSMOconf 0.0050518479127891515 COSMOmic 0.0 COSMOperm 5.317734645041213E-4 COSMOplex 2.6588673225206064E-4 COSMOquick 7.976601967561818E-4 COSMOtherm 0.06301515554373836 Catalyst 0.07896835947886201 Classical Simulations 1.0 Conformers 5.317734645041213E-4 Crystallization 0.07258707790481254 DFTB Plus 0.003722414251528849 DMol3 0.14437649561286892 DPD 0.0029247540547726668 Discover 0.003988300983780909 Forcite 0.5091730922626961 GULP 0.01648497739962776 Kinetix 2.6588673225206064E-4 LUDI 0.003988300983780909 LibDock 0.07232119117256049 LigandFit 0.003988300983780909 MODELER 0.26296197819728795 MesoDyn 0.0 Mesocite 0.0034565275192767883 Mesoscale 0.0061153948417973945 Modules 0.0 Morphology 0.015953203935123637 ONETEP 0.0010635469290082426 Polymorph 0.0023929805902685457 QMERA 2.6588673225206064E-4 QSAR 2.6588673225206064E-4 Quantum Mechanics 0.4509438978994948 Reflex 0.052645572985908 Reflex Plus 7.976601967561818E-4 Semi-empirical 0.004785961180537091 Sorption 0.056633873969688914 Synthia 0.0013294336612603031 TURBOMOLE 0.0 VAMP 2.6588673225206064E-4 Visualization 0.7202871576708322 X-Cell 0.0013294336612603031 ZDOCK 0.02977931401223079

Year

2024 0.3113370835136305 2025 1.0 2026 0.8392470791864993 2027 0.0

Keywords

target 1.0 potential 0.31989494418910047 docking 0.23768877216021012 analysis 0.22797110965200262 visualization 0.1721602101116218 between 0.1381483913328956 novel 0.09428759028233749 promising 0.0928430728824688 binding 0.08076165462902167 energy 0.06565988181221274 cell 0.05751805646749836 activity 0.05121470781352593 stability 0.04228496388706501 performance 0.0340118187787262 including 0.023900196979645436 strong 0.017859487852921865 synthesized 0.01746552856204859 effective 0.017071569271175313 development 0.014707813525935653 enhanced 0.010242941562705186 mechanism 0.007747866053841103 experimental 0.004727511490479317 interaction 0.004727511490479317 protein 0.0017071569271175312 strategy 0.0
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