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Application

Discovery Studio 1.0 Materials Studio 0.8321485897729879 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.059519894771456756 Amorphous Cell 0.27079907925024665 Blends 0.001644195988161789 CASTEP 0.333607365998027 CDOCKER 0.18628740545873068 CHARMm 0.30105228543242357 COMPASS 0.3316343308122328 COMPASS III 0.09075961854653075 COSMObase 0.004274909569220651 COSMOconf 0.004110489970404472 COSMOmic 0.0 COSMOperm 4.932587964485367E-4 COSMOplex 1.644195988161789E-4 COSMOquick 0.001644195988161789 COSMOtherm 0.06083525156198619 Catalyst 0.112134166392634 Classical Simulations 1.0 Conformers 3.288391976323578E-4 Crystallization 0.06658993752055245 DFTB Plus 0.00443932916803683 DMol3 0.15373232489312727 DPD 0.0018086155869779677 Discover 0.0026307135810588623 Forcite 0.5075633015455442 GULP 0.018908253863860573 Kinetix 0.0 LUDI 0.0034528115751397566 LibDock 0.07777047024005261 LigandFit 0.004768168365669187 MCSS 4.932587964485367E-4 MODELER 0.2726076948372246 MesoDyn 8.220979940808945E-4 Mesocite 0.0026307135810588623 Mesoscale 0.004932587964485367 Modules 0.0 Morphology 0.016770799079250248 ONETEP 6.576783952647156E-4 Polymorph 0.0018086155869779677 QMERA 0.0 QSAR 8.220979940808945E-4 Quantum Mechanics 0.47780335415981584 Reflex 0.0475172640578757 Reflex Plus 0.0011509371917132521 Semi-empirical 0.005754685958566261 Sorption 0.05162775402828017 Synthia 0.0011509371917132521 TURBOMOLE 3.288391976323578E-4 VAMP 9.865175928970734E-4 Visualization 0.8413350871423874 X-Cell 0.00147977638934561 ZDOCK 0.03156856297270635

Year

2023 0.0 2024 0.4993398468444679 2025 1.0 2026 0.3163453921309744

Keywords

target 1.0 potential 0.3142898571739288 docking 0.2549844123830929 analysis 0.21815413615602117 visualization 0.20459653447400855 between 0.14920611904589284 novel 0.11020082650619879 binding 0.08932066990502428 promising 0.07924309432320742 energy 0.06909301819763648 activity 0.06612049590371928 cell 0.05930544479083593 stability 0.039802798520988905 interaction 0.025737693032697746 protein 0.025302689770173276 including 0.0252301892264192 synthesized 0.024142681070108026 development 0.021895164213731604 performance 0.020227651707387804 effective 0.018197636482273617 mechanism 0.01798013485101138 experimental 0.015152613644602334 synthesis 0.011092583194373958 vitro 5.07503806278547E-4 enhanced 0.0
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