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Application

Discovery Studio 1.0 Materials Studio 0.9902109033028254 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06633291614518148 Amorphous Cell 0.27909887359199 Blends 0.002190237797246558 CASTEP 0.3807884856070088 CDOCKER 0.17104714226115977 CHARMm 0.2623070504797664 COMPASS 0.36055486024196914 COMPASS III 0.08281184814351272 COSMObase 0.003337505214851898 COSMOconf 0.0038589904046725074 COSMOmic 3.1289111389236547E-4 COSMOperm 0.0013558614935335837 COSMOplex 2.0859407592824363E-4 COSMOquick 0.0014601585314977055 COSMOtherm 0.062473925740508966 Cantera 0.0 Catalyst 0.11639549436795996 Classical Simulations 1.0 Conformers 0.0010429703796412183 Crystallization 0.07405089695452649 DFTB Plus 0.004797663746349603 DMol3 0.1725073007926575 DPD 0.002816020025031289 Discover 0.0038589904046725074 Forcite 0.535148101793909 GULP 0.0229453483521068 Kinetix 2.0859407592824363E-4 LUDI 0.005214851898206091 LibDock 0.0702962035878181 LigandFit 0.006257822277847309 MCSS 9.386733416770963E-4 MODELER 0.2026491447642887 MesoDyn 0.0012515644555694619 Mesocite 0.0035460992907801418 Mesoscale 0.006779307467667918 Modules 0.0 Morphology 0.017417605340008344 ONETEP 0.0010429703796412183 Polymorph 0.0017730496453900709 QMERA 2.0859407592824363E-4 QSAR 0.0010429703796412183 Quantum Mechanics 0.5425531914893617 Reflex 0.05423445974134335 Reflex Plus 9.386733416770963E-4 Semi-empirical 0.006570713391739674 Sorption 0.05548602419691281 Synthia 0.0010429703796412183 TURBOMOLE 5.214851898206091E-4 VAMP 0.0013558614935335837 Visualization 0.826136837713809 X-Cell 0.0013558614935335837 ZDOCK 0.028473091364205255

Year

2021 0.03298292988716366 2022 0.16057479024013888 2023 0.25952357990162983 2024 0.721959687530138 2025 1.0 2026 0.4098755907030572 2027 0.0

Keywords

target 1.0 potential 0.28024202720531366 docking 0.22228288066966925 visualization 0.20376688958646103 analysis 0.19498657931850236 between 0.15449706564760474 novel 0.10459032801055457 energy 0.08662026295436968 binding 0.07633865611209681 cell 0.06451025885992448 promising 0.060142850643737776 activity 0.05563896092079523 stability 0.03789636504253674 interaction 0.03680451298849006 synthesized 0.030526363677721668 performance 0.029389017788089715 experimental 0.028570128747554706 effective 0.02342932532641827 mechanism 0.022519448614712705 protein 0.01965333697284018 including 0.01915290478140212 development 0.01892543560347573 synthesis 0.014148582867021519 design 0.003912469860333925 chemical 0.0
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