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Application

Discovery Studio 0.8369109723766356 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06875573921028466 Amorphous Cell 0.29155188246097336 Blends 0.002295684113865932 CASTEP 0.3948576675849403 CDOCKER 0.1452020202020202 CHARMm 0.23163452708907253 COMPASS 0.37281910009182734 COMPASS III 0.08895775941230487 COSMObase 0.0035583103764921945 COSMOconf 0.004706152433425161 COSMOmic 1.147842056932966E-4 COSMOperm 0.001147842056932966 COSMOplex 2.295684113865932E-4 COSMOquick 0.0013774104683195593 COSMOtherm 0.06680440771349862 Cantera 0.0 Catalyst 0.09986225895316804 Classical Simulations 1.0 Conformers 4.591368227731864E-4 Crystallization 0.0743801652892562 DFTB Plus 0.005853994490358127 DMol3 0.1764233241505969 DPD 0.0027548209366391185 Discover 0.003787878787878788 Forcite 0.5568181818181818 GULP 0.022382920110192838 Kinetix 2.295684113865932E-4 LUDI 0.003443526170798898 LibDock 0.06209825528007346 LigandFit 0.004591368227731864 MCSS 4.591368227731864E-4 MODELER 0.19088613406795224 MesoDyn 9.182736455463728E-4 Mesocite 0.0035583103764921945 Mesoscale 0.0065426997245179065 Modules 0.0 Morphology 0.017676767676767676 ONETEP 0.001147842056932966 Polymorph 0.0019513314967860422 QMERA 2.295684113865932E-4 QSAR 0.0010330578512396695 Quantum Mechanics 0.5604912764003673 Reflex 0.0539485766758494 Reflex Plus 0.0010330578512396695 Semi-empirical 0.007690541781450872 Sorption 0.05693296602387511 Synthia 0.0014921946740128558 TURBOMOLE 5.73921028466483E-4 VAMP 0.0013774104683195593 Visualization 0.7160238751147842 X-Cell 0.0013774104683195593 ZDOCK 0.026400367309458217

Year

2022 0.027166003686814787 2023 0.19928204133113417 2024 0.6151159406228777 2025 1.0 2026 0.4122441059474144 2027 0.0

Keywords

target 1.0 potential 0.2748491584630041 analysis 0.1903249708902297 docking 0.18873716523764159 visualization 0.1676722769133058 between 0.15941568751984758 energy 0.09775590134434212 novel 0.09304541124166402 cell 0.06578808087223458 promising 0.06324759182809357 binding 0.05890758971101937 performance 0.04202392293849899 stability 0.0403831904308246 activity 0.03995977559013444 experimental 0.03064464909495078 interaction 0.02593415899227268 synthesized 0.02397586535408066 effective 0.01984757065735154 mechanism 0.01910659468614375 including 0.017412935323383085 development 0.0150312268445009 synthesis 0.0017465862178469354 enhanced 0.0013760982322430402 design 5.292685508627077E-5 protein 0.0
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