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Application

Discovery Studio 0.9477496120020693 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.060577526679221595 Amorphous Cell 0.2787193973634652 Blends 0.0018832391713747645 CASTEP 0.3179535467671061 CDOCKER 0.16227244193345888 CHARMm 0.2617702448210923 COMPASS 0.34494664155681104 COMPASS III 0.10671688637790333 COSMObase 0.0053358443188951665 COSMOconf 0.006591337099811676 COSMOmic 0.0 COSMOperm 6.277463904582549E-4 COSMOplex 3.1387319522912746E-4 COSMOquick 6.277463904582549E-4 COSMOtherm 0.06497175141242938 Catalyst 0.07313245448838669 Classical Simulations 1.0 Conformers 3.1387319522912746E-4 Crystallization 0.07721280602636535 DFTB Plus 0.003138731952291274 DMol3 0.14846202134337727 DPD 0.002197112366603892 Discover 0.004708097928436911 Forcite 0.5291902071563088 GULP 0.015379786566227243 Kinetix 0.0 LUDI 0.003452605147520402 LibDock 0.06371625863151287 LigandFit 0.003138731952291274 MODELER 0.243879472693032 Mesocite 0.003138731952291274 Mesoscale 0.005021971123666039 Morphology 0.017890772128060263 ONETEP 9.416195856873823E-4 Polymorph 0.0025109855618330196 QMERA 3.1387319522912746E-4 QSAR 3.1387319522912746E-4 Quantum Mechanics 0.4595103578154426 Reflex 0.05555555555555555 Reflex Plus 6.277463904582549E-4 Semi-empirical 0.004708097928436911 Sorption 0.0583804143126177 Synthia 6.277463904582549E-4 TURBOMOLE 0.0 VAMP 6.277463904582549E-4 Visualization 0.6657250470809792 X-Cell 0.001569365976145637 ZDOCK 0.027306967984934087

Year

2024 0.13581203201652467 2025 1.0 2026 0.967983475342112 2027 0.0

Keywords

target 1.0 potential 0.315883887801696 analysis 0.23140900195694716 docking 0.22309197651663404 visualization 0.1622635355512068 between 0.1423679060665362 promising 0.10029354207436399 novel 0.08969341161121983 energy 0.08056099151989563 binding 0.07795172863666014 cell 0.06653620352250489 stability 0.050065231572080884 performance 0.047782126549249834 activity 0.046151337247227656 strong 0.031800391389432484 including 0.028701891715590344 effective 0.019243313763861708 enhanced 0.01908023483365949 development 0.016960208741030658 experimental 0.013535551206784083 synthesized 0.012883235485975211 mechanism 0.011578604044357468 strategy 0.011578604044357468 design 0.004729288975864318 interaction 0.0
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