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Application

Discovery Studio 0.8713002993016296 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05634373733279287 Amorphous Cell 0.2809079854073774 Blends 0.002026753141467369 CASTEP 0.310498581272801 CDOCKER 0.154843940008107 CHARMm 0.24604783137413863 COMPASS 0.3506282934738549 COMPASS III 0.11593027969193352 COSMObase 0.00526955816781516 COSMOconf 0.007296311309282529 COSMOmic 0.0 COSMOperm 4.0535062829347385E-4 COSMOplex 4.0535062829347385E-4 COSMOquick 4.0535062829347385E-4 COSMOtherm 0.06485610052695581 Catalyst 0.06688285366842318 Classical Simulations 1.0 Conformers 4.0535062829347385E-4 Crystallization 0.07580056749087961 DFTB Plus 0.002837454398054317 DMol3 0.14187271990271585 DPD 0.0012160518848804217 Discover 0.004053506282934738 Forcite 0.5391163356303202 GULP 0.01580867450344548 Kinetix 0.0 LUDI 0.002026753141467369 LibDock 0.061613295500608026 LigandFit 0.002837454398054317 MODELER 0.22537494933117147 Mesocite 0.004053506282934738 Mesoscale 0.004864207539521687 Morphology 0.016619375760032428 ONETEP 8.107012565869477E-4 Polymorph 0.0032428050263477908 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.4458856911228212 Reflex 0.05472233481961897 Reflex Plus 4.0535062829347385E-4 Semi-empirical 0.004053506282934738 Sorption 0.0636400486420754 Synthia 8.107012565869477E-4 TURBOMOLE 0.0 VAMP 4.0535062829347385E-4 Visualization 0.6169436562626672 X-Cell 0.0012160518848804217 ZDOCK 0.026753141467369273

Year

2024 0.011225444340505144 2025 0.8908637355784222 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.3132317207863928 analysis 0.21957146012812018 docking 0.20101612546940578 visualization 0.14535012149326265 between 0.13540976364037993 promising 0.10050806273470289 novel 0.08791694278771814 energy 0.08217362491716368 cell 0.06604815551137619 binding 0.06450187762314999 performance 0.05456151977026728 stability 0.04506295559973492 strong 0.03887784404683013 activity 0.03733156615860393 including 0.028274795670421914 enhanced 0.02208968411751712 effective 0.019218025182239893 strategy 0.01855533465871438 development 0.014358294676386128 mechanism 0.010823945217583389 experimental 0.009498564170532362 design 0.005743317870554451 synthesized 0.004417936823503424 therapeutic 0.0
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