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Application

Discovery Studio 0.9883706544599777 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06308266003729024 Amorphous Cell 0.281230577998757 Blends 0.0018645121193287756 CASTEP 0.3506836544437539 CDOCKER 0.16438781852082038 CHARMm 0.259633312616532 COMPASS 0.3511497824735861 COMPASS III 0.09959602237414543 COSMObase 0.00435052827843381 COSMOconf 0.005438160348042263 COSMOmic 1.5537600994406463E-4 COSMOperm 0.0010876320696084525 COSMOplex 1.5537600994406463E-4 COSMOquick 0.001243008079552517 COSMOtherm 0.06587942821628341 Catalyst 0.09322560596643878 Classical Simulations 1.0 Conformers 3.1075201988812925E-4 Crystallization 0.07054070851460534 DFTB Plus 0.0046612802983219395 DMol3 0.15677439403356122 DPD 0.0020198881292728403 Discover 0.003418272218769422 Forcite 0.536202610316967 GULP 0.020509633312616533 Kinetix 1.5537600994406463E-4 LUDI 0.003418272218769422 LibDock 0.07054070851460534 LigandFit 0.004039776258545681 MCSS 4.661280298321939E-4 MODELER 0.24549409571162212 MesoDyn 7.768800497203232E-4 Mesocite 0.0026413921690490987 Mesoscale 0.005127408328154133 Modules 0.0 Morphology 0.01709136109384711 ONETEP 7.768800497203232E-4 Polymorph 0.0018645121193287756 QMERA 1.5537600994406463E-4 QSAR 7.768800497203232E-4 Quantum Mechanics 0.49813548788067125 Reflex 0.05065257924176507 Reflex Plus 0.0010876320696084525 Semi-empirical 0.006215040397762586 Sorption 0.05671224362958359 Synthia 0.0013983840894965817 TURBOMOLE 3.1075201988812925E-4 VAMP 0.0010876320696084525 Visualization 0.7470478558110628 X-Cell 0.0015537600994406464 ZDOCK 0.028433809819763827

Year

2023 0.06440759432828647 2024 0.5104542177361211 2025 1.0 2026 0.5103340543138669 2027 0.0

Keywords

target 1.0 potential 0.29617149412102095 docking 0.21680527674218525 analysis 0.20848867221106968 visualization 0.17730140521938628 between 0.15156294809291654 novel 0.09843705190708345 energy 0.08166045311155722 promising 0.07621164324634357 binding 0.07212503584743332 cell 0.06258961858330943 activity 0.050831660453111556 stability 0.03943217665615142 performance 0.03728133065672498 including 0.02114998566102667 synthesized 0.021006595927731575 experimental 0.020002867794665903 interaction 0.019501003728133067 effective 0.0182104961284772 development 0.016489819328936048 mechanism 0.016346429595640952 protein 0.008244909664468024 enhanced 0.005735589331803843 synthesis 0.0012905075996558647 design 0.0
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