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Application

Discovery Studio 0.9424686192468619 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06415094339622641 Amorphous Cell 0.2828547990155865 Blends 0.0019688269073010667 CASTEP 0.34848236259228876 CDOCKER 0.1589827727645611 CHARMm 0.26103363412633307 COMPASS 0.347005742411813 COMPASS III 0.09811320754716982 COSMObase 0.004429860541427399 COSMOconf 0.005414273995077933 COSMOmic 0.0 COSMOperm 6.562756357670221E-4 COSMOplex 1.6406890894175554E-4 COSMOquick 0.0014766201804757998 COSMOtherm 0.06562756357670221 Catalyst 0.08990976210008203 Classical Simulations 1.0 Conformers 4.922067268252667E-4 Crystallization 0.07005742411812961 DFTB Plus 0.004265791632485644 DMol3 0.15816242821985232 DPD 0.0022969647251845776 Discover 0.0037735849056603774 Forcite 0.5327317473338802 GULP 0.019688269073010665 Kinetix 1.6406890894175554E-4 LUDI 0.0037735849056603774 LibDock 0.06595570139458573 LigandFit 0.004101722723543888 MCSS 4.922067268252667E-4 MODELER 0.2298605414273995 MesoDyn 6.562756357670221E-4 Mesocite 0.0034454470877768664 Mesoscale 0.006070549630844955 Modules 0.0 Morphology 0.016406890894175553 ONETEP 8.203445447087777E-4 Polymorph 0.001804757998359311 QMERA 1.6406890894175554E-4 QSAR 6.562756357670221E-4 Quantum Mechanics 0.49647251845775225 Reflex 0.05053322395406071 Reflex Plus 8.203445447087777E-4 Semi-empirical 0.005742411812961444 Sorption 0.054963084495488104 Synthia 9.844134536505333E-4 TURBOMOLE 3.2813781788351107E-4 VAMP 9.844134536505333E-4 Visualization 0.710746513535685 X-Cell 0.001804757998359311 ZDOCK 0.026415094339622643

Year

2023 0.08220749426459342 2024 0.42658679581952585 2025 1.0 2026 0.5397654855977568 2027 0.0

Keywords

target 1.0 potential 0.29393892178248676 docking 0.21120286693674042 analysis 0.20629479588656902 visualization 0.1675755687129947 between 0.15028046120286695 novel 0.09449984418822063 energy 0.08211280772826425 promising 0.0736210657525709 binding 0.0675444063571206 cell 0.0622468058585229 activity 0.042614521657837336 stability 0.04066687441570583 performance 0.03786226238703646 including 0.020567154876908696 experimental 0.01854160174509193 synthesized 0.017684636958554066 interaction 0.016516048613275165 effective 0.016360236833904643 development 0.012932377687753195 mechanism 0.012387036459956372 enhanced 0.007790588968526021 protein 0.0031941414770956683 strong 0.0010127765659083826 design 0.0
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