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Application

Discovery Studio 1.0 Materials Studio 0.5371041817742326 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.060424354243542436 Amorphous Cell 0.17112546125461256 Blends 0.0013837638376383763 CASTEP 0.31134686346863466 CDOCKER 0.3362546125461255 CHARMm 0.4072878228782288 COMPASS 0.27813653136531363 COMPASS III 0.05350553505535055 COSMObase 0.0013837638376383763 COSMOconf 0.0 COSMOperm 4.6125461254612545E-4 COSMOquick 0.0018450184501845018 COSMOtherm 0.04289667896678967 Catalyst 0.26752767527675275 Classical Simulations 0.9515682656826568 Conformers 4.6125461254612545E-4 Crystallization 0.059501845018450183 DFTB Plus 0.0032287822878228783 DMol3 0.14529520295202952 DPD 0.0023062730627306273 Discover 0.0018450184501845018 Forcite 0.3952952029520295 GULP 0.009686346863468635 LUDI 0.007380073800738007 LibDock 0.11854243542435425 LigandFit 0.011992619926199263 MCSS 4.6125461254612545E-4 MODELER 0.2753690036900369 MesoDyn 4.6125461254612545E-4 Mesocite 0.0036900369003690036 Mesoscale 0.005535055350553505 Morphology 0.01014760147601476 ONETEP 0.0 Polymorph 0.0018450184501845018 QSAR 0.0018450184501845018 Quantum Mechanics 0.4488007380073801 Reflex 0.04658671586715867 Reflex Plus 4.6125461254612545E-4 Semi-empirical 0.004612546125461255 Sorption 0.022601476014760147 Synthia 0.0 TURBOMOLE 0.0 VAMP 9.225092250922509E-4 Visualization 1.0 X-Cell 0.0013837638376383763 ZDOCK 0.030904059040590407

Year

2021 0.058719646799116995 2022 0.20750551876379691 2023 0.4922737306843267 2024 0.9245033112582781 2025 1.0 2026 0.24944812362030905 2027 0.0

Keywords

novel 1.0 target 0.9600358422939068 potential 0.3480286738351254 docking 0.31594982078853046 visualization 0.1992831541218638 analysis 0.17544802867383513 synthesized 0.1381720430107527 promising 0.10555555555555556 synthesis 0.10376344086021505 activity 0.0996415770609319 binding 0.09444444444444444 development 0.08028673835125448 between 0.07831541218637993 compound 0.07347670250896057 design 0.04086021505376344 protein 0.02939068100358423 vitro 0.026523297491039426 drug 0.026164874551971327 effective 0.02258064516129032 stability 0.01971326164874552 cell 0.014157706093189963 inhibition 0.013978494623655914 potent 0.012007168458781362 therapeutic 0.004838709677419355 treatment 0.0
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