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Application

Discovery Studio 1.0 Materials Studio 0.9921998781230956 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.063682510383018 Amorphous Cell 0.2773419473927088 Blends 0.001999692355022304 CASTEP 0.3547146592831872 CDOCKER 0.16782033533302568 CHARMm 0.2713428703276419 COMPASS 0.3421012151976619 COMPASS III 0.09506229810798339 COSMObase 0.004307029687740348 COSMOconf 0.005229964620827565 COSMOmic 0.0 COSMOperm 6.152899553914783E-4 COSMOplex 1.5382248884786957E-4 COSMOquick 0.0015382248884786955 COSMOtherm 0.063682510383018 Cantera 0.0 Catalyst 0.09921550530687587 Classical Simulations 1.0 Conformers 7.691124442393477E-4 Crystallization 0.07152745731425934 DFTB Plus 0.004153207198892478 DMol3 0.15997538840178435 DPD 0.0023073373327180432 Discover 0.0036917397323488694 Forcite 0.5257652668820182 GULP 0.019996923550223044 Kinetix 1.5382248884786957E-4 LUDI 0.004153207198892478 LibDock 0.07045069989232426 LigandFit 0.004153207198892478 MCSS 6.152899553914783E-4 MODELER 0.23288724811567452 MesoDyn 7.691124442393477E-4 Mesocite 0.00338409475465313 Mesoscale 0.005999077065066913 Modules 0.0 Morphology 0.016459006306722042 ONETEP 0.001076757421935087 Polymorph 0.001692047377326565 QMERA 1.5382248884786957E-4 QSAR 7.691124442393477E-4 Quantum Mechanics 0.5043839409321643 Reflex 0.05229964620827565 Reflex Plus 7.691124442393477E-4 Semi-empirical 0.005691432087371173 Sorption 0.05460698354099369 Synthia 9.229349330872173E-4 TURBOMOLE 3.0764497769573913E-4 VAMP 0.001076757421935087 Visualization 0.7574219350869097 X-Cell 0.001692047377326565 ZDOCK 0.02814951545916013

Year

2023 0.12914026067200765 2024 0.47004663398302043 2025 1.0 2026 0.5063972258758819 2027 0.0

Keywords

target 1.0 potential 0.29836929431033254 docking 0.22523677276935128 analysis 0.2087160863063448 visualization 0.18179876094851527 between 0.14954069643238624 novel 0.09791355123549099 energy 0.07847326069928078 promising 0.07405824966175319 binding 0.07249163284198533 cell 0.05988748842839849 activity 0.04927721996724347 stability 0.041016876735740226 performance 0.032970163070568964 synthesized 0.02186142562130599 including 0.021719005910418 experimental 0.019155451114434237 interaction 0.01894182154810226 effective 0.016235847041230506 development 0.01587979776401054 mechanism 0.014313180944242684 protein 0.011892045859146907 synthesis 0.004058961760307627 enhanced 0.002848394217759738 design 0.0
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