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Application

Discovery Studio 0.8337585868498528 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06597045338767193 Amorphous Cell 0.29648497198166074 Blends 0.001782985226693836 CASTEP 0.358380030565461 CDOCKER 0.14951604686704023 CHARMm 0.23076923076923078 COMPASS 0.35914416709118696 COMPASS III 0.10366785532348446 COSMObase 0.004330106979113602 COSMOconf 0.006622516556291391 COSMOmic 0.0 COSMOperm 7.641365257259297E-4 COSMOplex 2.5471217524197657E-4 COSMOquick 7.641365257259297E-4 COSMOtherm 0.07259296994396332 Catalyst 0.08023433520122261 Classical Simulations 1.0 Conformers 5.094243504839531E-4 Crystallization 0.07666836474783495 DFTB Plus 0.004584819154355578 DMol3 0.15843097300050943 DPD 0.0020376974019358125 Discover 0.0038206826286296485 Forcite 0.5611309220580744 GULP 0.016046867040244522 Kinetix 2.5471217524197657E-4 LUDI 0.0038206826286296485 LibDock 0.06062149770759042 LigandFit 0.003056546102903719 MCSS 5.094243504839531E-4 MODELER 0.22236372898624554 MesoDyn 0.0 Mesocite 0.0033112582781456954 Mesoscale 0.005348955680081508 Morphology 0.018339276617422313 ONETEP 0.0012735608762098828 Polymorph 0.0012735608762098828 QMERA 0.0 QSAR 7.641365257259297E-4 Quantum Mechanics 0.5099337748344371 Reflex 0.05552725420275089 Reflex Plus 5.094243504839531E-4 Semi-empirical 0.006622516556291391 Sorption 0.05781966377992868 Synthia 0.0010188487009679063 TURBOMOLE 5.094243504839531E-4 VAMP 0.0015282730514518594 Visualization 0.6637799286805909 X-Cell 0.001782985226693836 ZDOCK 0.02547121752419766

Year

2023 7.698229407236335E-4 2024 0.36778290993071594 2025 1.0 2026 0.5916089299461124 2027 0.0

Keywords

target 1.0 potential 0.28279490944689184 analysis 0.19982868330885953 docking 0.1877141458639256 visualization 0.14941262848751835 between 0.14647577092511013 novel 0.08614782183064121 energy 0.08516886930983847 promising 0.07244248653940284 cell 0.06607929515418502 binding 0.05616740088105727 performance 0.05115026921194322 stability 0.038913362701908955 activity 0.03854625550660793 experimental 0.021536955457660302 synthesized 0.01908957415565345 including 0.01860009789525208 enhanced 0.015540871267743514 effective 0.015418502202643172 mechanism 0.015051395007342145 development 0.010523739598629466 strong 0.007219774840920215 interaction 0.0047723935389133625 design 2.447381302006853E-4 strategy 0.0
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