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Application

Discovery Studio 1.0 Materials Studio 0.3052494199535963 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.025851581508515815 Amorphous Cell 0.024939172749391728 Antibody 3.0413625304136254E-4 Blends 0.0012165450121654502 CASTEP 0.21015815085158152 CDOCKER 0.35736009732360097 CHARMm 0.46137469586374696 COMPASS 0.07208029197080291 COMPASS III 0.004257907542579075 COSMObase 3.0413625304136254E-4 COSMOconf 0.0012165450121654502 COSMOmic 3.0413625304136254E-4 COSMOperm 3.0413625304136254E-4 COSMOquick 3.0413625304136254E-4 COSMOtherm 0.04683698296836983 Catalyst 0.33181265206812655 Classical Simulations 0.6198296836982968 Conformers 0.0021289537712895377 Crystallization 0.03254257907542579 DFTB Plus 0.0015206812652068127 DMol3 0.2980535279805353 DPD 0.0018248175182481751 Discover 0.004866180048661801 Forcite 0.09428223844282238 GULP 0.013077858880778588 Kinetix 0.0 LUDI 0.017639902676399026 LibDock 0.11587591240875912 LigandFit 0.054136253041362534 MCSS 0.0024330900243309003 MODELER 0.4282238442822384 MesoDyn 9.124087591240876E-4 Mesocite 0.0018248175182481751 Mesoscale 0.004257907542579075 Morphology 0.005170316301703163 ONETEP 0.0012165450121654502 Polymorph 0.0 QMERA 0.0 QSAR 0.0076034063260340635 Quantum Mechanics 0.5006082725060828 Reflex 0.026155717761557177 Reflex Plus 9.124087591240876E-4 Reflex QPA 0.0 Semi-empirical 0.005170316301703163 Sorption 0.006995133819951338 TURBOMOLE 9.124087591240876E-4 VAMP 0.0030413625304136255 Visualization 1.0 X-Cell 0.0015206812652068127 ZDOCK 0.04075425790754258

Year

2002 0.0 2003 0.001563721657544957 2004 0.007818608287724784 2005 0.014855355746677092 2006 0.019546520719311962 2007 0.0218921032056294 2008 0.04222048475371384 2009 0.05629397967161845 2010 0.0946051602814699 2011 0.058639562157935886 2012 0.05707584050039093 2013 0.17904612978889758 2014 0.30727130570758404 2015 0.418295543393276 2016 0.40578577013291633 2017 0.44566067240031276 2018 0.6356528537920251 2019 0.7130570758405004 2020 0.7294761532447225 2021 0.7591868647380766 2022 1.0 2023 0.784206411258796 2024 0.44566067240031276 2025 0.1743549648162627 2026 0.014073494917904612

Keywords

activity 1.0 target 0.968413136124342 docking 0.2909250438706443 visualization 0.2268739032338932 potential 0.20819754324392079 novel 0.1452745048884432 analysis 0.11619453497117072 binding 0.10729506141890198 between 0.08185008774128855 synthesis 0.07232389069942341 active 0.06680872399097518 synthesized 0.06618200050137879 vitro 0.06367510654299323 compound 0.060416144397092 inhibition 0.059789420907495616 protein 0.056906492855352216 catalyst 0.031837553271496614 potent 0.020556530458761595 interaction 0.015668087239909752 promising 0.006016545500125345 enzyme 0.005765856104286789 well 0.005264477312609677 design 0.004011030333416896 drug 0.0016294810729506142 mechanism 0.0
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