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Application

Discovery Studio 1.0 Materials Studio 0.8960915157292659 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.059364133134624936 Amorphous Cell 0.27297565822155984 Blends 0.001987083954297069 CASTEP 0.30625931445603577 CDOCKER 0.18181818181818182 CHARMm 0.29210134128166915 COMPASS 0.32886239443616494 COMPASS III 0.10332836562344759 COSMObase 0.00546448087431694 COSMOconf 0.005712866368604074 COSMOmic 0.0 COSMOperm 4.967709885742673E-4 COSMOplex 2.4838549428713363E-4 COSMOquick 0.0012419274714356682 COSMOtherm 0.06284153005464481 Catalyst 0.08246398410332836 Classical Simulations 1.0 Conformers 2.4838549428713363E-4 Crystallization 0.07004470938897168 DFTB Plus 0.003229011425732737 DMol3 0.1453055141579732 DPD 0.0022354694485842027 Discover 0.004719324391455539 Forcite 0.5104321907600596 GULP 0.01689021361152509 Kinetix 0.0 LUDI 0.004470938897168405 LibDock 0.07575757575757576 LigandFit 0.004470938897168405 MCSS 2.4838549428713363E-4 MODELER 0.27223050173869845 MesoDyn 4.967709885742673E-4 Mesocite 0.003229011425732737 Mesoscale 0.005712866368604074 Morphology 0.01564828614008942 ONETEP 7.451564828614009E-4 Polymorph 0.0022354694485842027 QMERA 2.4838549428713363E-4 QSAR 4.967709885742673E-4 Quantum Mechanics 0.44361649279682064 Reflex 0.05116741182314953 Reflex Plus 4.967709885742673E-4 Semi-empirical 0.004719324391455539 Sorption 0.053899652260308 Synthia 7.451564828614009E-4 TURBOMOLE 0.0 VAMP 7.451564828614009E-4 Visualization 0.735966219572777 X-Cell 0.0012419274714356682 ZDOCK 0.030799801291604572

Year

2024 0.39865996649916247 2025 1.0 2026 0.8433835845896147 2027 0.0

Keywords

target 1.0 potential 0.32249879168680523 docking 0.24601256645722572 analysis 0.22873368777187048 visualization 0.17725954567423877 between 0.14354760753987433 novel 0.09606089898501692 promising 0.09328177863702272 binding 0.08663605606573224 energy 0.06500724987916869 cell 0.05944900918318028 activity 0.05425326244562591 stability 0.03902851619139681 performance 0.026582890285161913 including 0.026462058965683904 development 0.017399710004833254 strong 0.017278878685355246 synthesized 0.016191396810053167 effective 0.01570807153214113 mechanism 0.011478975350410826 enhanced 0.008941517641372644 interaction 0.008095698405026584 protein 0.007129047849202513 experimental 0.00459159014016433 therapeutic 0.0
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