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Application

Discovery Studio 1.0 Materials Studio 0.9708473697849184 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06546124225682237 Amorphous Cell 0.2764105139795748 Blends 0.0020090406830738324 CASTEP 0.3601205424409844 CDOCKER 0.16742005692281936 CHARMm 0.2742340532395781 COMPASS 0.34588983760254477 COMPASS III 0.0865561694290976 COSMObase 0.003683241252302026 COSMOconf 0.005022601707684581 COSMOmic 0.0 COSMOperm 0.0010045203415369162 COSMOplex 1.6742005692281934E-4 COSMOquick 0.0015067805123053742 COSMOtherm 0.06177800100452034 Cantera 0.0 Catalyst 0.1106646576259836 Classical Simulations 1.0 Conformers 6.696802276912774E-4 Crystallization 0.07249288464758077 DFTB Plus 0.004018081366147665 DMol3 0.15971873430436967 DPD 0.0020090406830738324 Discover 0.003683241252302026 Forcite 0.5221831575422735 GULP 0.020257826887661142 Kinetix 0.0 LUDI 0.0051900217646074 LibDock 0.07098610413527541 LigandFit 0.004687761593838942 MCSS 8.371002846140967E-4 MODELER 0.21982253473966182 MesoDyn 8.371002846140967E-4 Mesocite 0.003683241252302026 Mesoscale 0.006027122049221497 Morphology 0.017411685919973212 ONETEP 0.0010045203415369162 Polymorph 0.0015067805123053742 QMERA 1.6742005692281934E-4 QSAR 8.371002846140967E-4 Quantum Mechanics 0.5101289134438306 Reflex 0.05290473798761092 Reflex Plus 3.348401138456387E-4 Semi-empirical 0.005859701992298677 Sorption 0.05491377867068475 Synthia 5.022601707684581E-4 TURBOMOLE 5.022601707684581E-4 VAMP 0.0013393604553825547 Visualization 0.7902226686757073 X-Cell 0.0015067805123053742 ZDOCK 0.02846140967687929

Year

2022 0.005471207769115032 2023 0.256599644371495 2024 0.450417179592395 2025 1.0 2026 0.5194911776774723 2027 0.0

Keywords

target 1.0 potential 0.3010223691290645 docking 0.23176262587439464 analysis 0.20485817510953955 visualization 0.19578753170881696 between 0.14866630794065647 novel 0.10200630332846491 binding 0.08009839341994004 energy 0.07979091398262741 promising 0.06833730494273195 cell 0.06080405872857253 activity 0.052117764624490734 stability 0.040587285725267125 performance 0.0274425397801522 interaction 0.027135060342839572 synthesized 0.023214697517103543 including 0.02244599892382197 experimental 0.02006303328464909 effective 0.018986855254054885 protein 0.018141286801445153 mechanism 0.017372588208163578 development 0.01729571834883542 synthesis 0.008148205088784688 design 0.0033054039511107693 strong 0.0
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