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Application

Discovery Studio 1.0 Materials Studio 0.9664489979734294 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05623268698060942 Amorphous Cell 0.27313019390581716 Blends 0.00221606648199446 CASTEP 0.307202216066482 CDOCKER 0.17562326869806094 CHARMm 0.2772853185595568 COMPASS 0.33240997229916897 COMPASS III 0.1113573407202216 COSMObase 0.00443213296398892 COSMOconf 0.00554016620498615 COSMOmic 0.0 COSMOperm 2.770083102493075E-4 COSMOplex 2.770083102493075E-4 COSMOquick 5.54016620498615E-4 COSMOtherm 0.06398891966759003 Catalyst 0.07839335180055401 Classical Simulations 1.0 Conformers 5.54016620498615E-4 Crystallization 0.07340720221606649 DFTB Plus 0.003878116343490305 DMol3 0.14238227146814406 DPD 0.002770083102493075 Discover 0.003601108033240997 Forcite 0.5168975069252078 GULP 0.017174515235457065 Kinetix 2.770083102493075E-4 LUDI 0.003878116343490305 LibDock 0.07174515235457064 LigandFit 0.004155124653739612 MODELER 0.2578947368421053 MesoDyn 0.0 Mesocite 0.0033240997229916896 Mesoscale 0.005817174515235457 Modules 0.0 Morphology 0.016897506925207757 ONETEP 0.00110803324099723 Polymorph 0.00221606648199446 QMERA 2.770083102493075E-4 QSAR 0.0 Quantum Mechanics 0.4421052631578947 Reflex 0.052908587257617726 Reflex Plus 8.310249307479224E-4 Semi-empirical 0.005263157894736842 Sorption 0.05955678670360111 Synthia 0.0013850415512465374 TURBOMOLE 0.0 VAMP 5.54016620498615E-4 Visualization 0.7013850415512466 X-Cell 0.0013850415512465374 ZDOCK 0.028254847645429362

Year

2024 0.25353621945992283 2025 1.0 2026 0.767038148306901 2027 0.0

Keywords

target 1.0 potential 0.3157101766881249 docking 0.22777701684700727 analysis 0.2229831529927407 visualization 0.16600465689631558 between 0.1408026297767429 promising 0.09026160799890426 novel 0.0895767703054376 binding 0.07505821120394467 energy 0.06834680180797151 cell 0.05916997671551842 activity 0.04903437885221203 stability 0.040953294069305576 performance 0.037392138063279005 including 0.024791124503492672 strong 0.01712094233666621 synthesized 0.015751266949732914 effective 0.015477331872346255 development 0.014792494178879605 enhanced 0.011231338172853034 mechanism 0.011231338172853034 interaction 0.007259279550746473 experimental 0.005341734009039857 strategy 0.0032872209286399123 protein 0.0
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