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Application

Discovery Studio 0.8696201532022427 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06751901944209636 Amorphous Cell 0.28518596787827555 Blends 0.00253592561284869 CASTEP 0.3940194420963652 CDOCKER 0.15141589180050719 CHARMm 0.2393279797125951 COMPASS 0.3700338123415047 COMPASS III 0.08759509721048182 COSMObase 0.003909551986475064 COSMOconf 0.004332206255283178 COSMOmic 2.1132713440405747E-4 COSMOperm 0.0014792899408284023 COSMOplex 2.1132713440405747E-4 COSMOquick 0.0015849535080304311 COSMOtherm 0.06487743026204565 Cantera 0.0 Catalyst 0.10196534234995773 Classical Simulations 1.0 Conformers 9.509721048182587E-4 Crystallization 0.07618343195266272 DFTB Plus 0.005283178360101437 DMol3 0.1804733727810651 DPD 0.0026415891800507184 Discover 0.003909551986475064 Forcite 0.5490278951817413 GULP 0.025042265426880813 Kinetix 3.1699070160608623E-4 LUDI 0.003909551986475064 LibDock 0.06456043956043957 LigandFit 0.004649196956889264 MCSS 6.339814032121725E-4 MODELER 0.18829247675401523 MesoDyn 0.0015849535080304311 Mesocite 0.0038038884192730348 Mesoscale 0.007290786136939983 Modules 0.0 Morphology 0.017645815722738798 ONETEP 0.0010566356720202875 Polymorph 0.002007607776838546 QMERA 2.1132713440405747E-4 QSAR 9.509721048182587E-4 Quantum Mechanics 0.562552831783601 Reflex 0.055896027049873204 Reflex Plus 9.509721048182587E-4 Semi-empirical 0.007079459002535925 Sorption 0.05726965342349958 Synthia 0.0014792899408284023 TURBOMOLE 4.2265426880811494E-4 VAMP 0.0013736263736263737 Visualization 0.7415469146238377 X-Cell 0.0013736263736263737 ZDOCK 0.025676246830092984

Year

2022 0.058759521218716 2023 0.2295973884657236 2024 0.6415487849111353 2025 1.0 2026 0.3854733405875952 2027 0.0

Keywords

target 1.0 potential 0.2770712909441233 docking 0.1983140655105973 analysis 0.1903660886319846 visualization 0.17866088631984586 between 0.15871868978805395 novel 0.098747591522158 energy 0.09614643545279383 cell 0.06560693641618497 binding 0.060934489402697495 promising 0.06035645472061657 activity 0.04335260115606936 performance 0.03954720616570328 stability 0.03824662813102119 experimental 0.03212909441233141 interaction 0.031791907514450865 synthesized 0.026782273603082853 effective 0.019942196531791908 including 0.019460500963391136 mechanism 0.018834296724470134 development 0.017726396917148363 protein 0.0075626204238921 synthesis 0.0072254335260115606 design 0.0024566473988439307 enhanced 0.0
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