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Application

Discovery Studio 1.0 Materials Studio 0.9651645893256632 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07065435568044962 Amorphous Cell 0.28221597751906863 Blends 0.002007226013649137 CASTEP 0.3392211963067041 CDOCKER 0.1714171015656363 CHARMm 0.2798073063026897 COMPASS 0.33560818948213567 COMPASS III 0.09955841027699719 COSMObase 0.004415897230028101 COSMOconf 0.00602167804094741 COSMOperm 4.014452027298274E-4 COSMOquick 0.0012043356081894822 COSMOtherm 0.0630268968285829 Catalyst 0.08309915696507426 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06864712966680048 DFTB Plus 0.0016057808109193096 DMol3 0.14973906061822562 DPD 0.0016057808109193096 Discover 0.004817342432757929 Forcite 0.5186672019269369 GULP 0.018867924528301886 LUDI 0.004415897230028101 LibDock 0.07386591730228824 LigandFit 0.004014452027298274 MCSS 8.028904054596548E-4 MODELER 0.26013649136892814 MesoDyn 0.0012043356081894822 Mesocite 0.0024086712163789645 Mesoscale 0.005218787635487756 Morphology 0.015254917703733441 ONETEP 0.0 Polymorph 0.0012043356081894822 QSAR 8.028904054596548E-4 Quantum Mechanics 0.47972701726214373 Reflex 0.05058209554395825 Reflex Plus 0.0 Semi-empirical 0.003211561621838619 Sorption 0.04937775993576877 Synthia 4.014452027298274E-4 TURBOMOLE 4.014452027298274E-4 VAMP 0.0012043356081894822 Visualization 0.7189883580891209 X-Cell 0.002007226013649137 ZDOCK 0.03291850662384584

Year

2023 0.0017899761336515514 2024 0.4606205250596659 2025 1.0 2026 0.5187947494033412 2027 0.0

Keywords

target 1.0 potential 0.28 docking 0.20491228070175438 analysis 0.19 visualization 0.15070175438596492 between 0.13578947368421052 novel 0.09 promising 0.07298245614035087 binding 0.07157894736842105 energy 0.061754385964912284 cell 0.05333333333333334 activity 0.044035087719298247 stability 0.028421052631578948 performance 0.024035087719298246 including 0.01719298245614035 effective 0.013157894736842105 development 0.009649122807017544 mechanism 0.008596491228070175 interaction 0.007894736842105263 experimental 0.007368421052631579 synthesized 0.006491228070175438 strong 0.00631578947368421 protein 0.0029824561403508773 enhanced 0.0017543859649122807 design 0.0
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