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Application

Discovery Studio 0.8716136631330977 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06177156177156177 Amorphous Cell 0.2907925407925408 Blends 0.0020396270396270395 CASTEP 0.3243006993006993 CDOCKER 0.15442890442890442 CHARMm 0.24475524475524477 COMPASS 0.34527972027972026 COMPASS III 0.11305361305361306 COSMObase 0.004662004662004662 COSMOconf 0.006701631701631702 COSMOmic 0.0 COSMOperm 5.827505827505828E-4 COSMOplex 2.913752913752914E-4 COSMOquick 2.913752913752914E-4 COSMOtherm 0.06963869463869464 Catalyst 0.07167832167832168 Classical Simulations 1.0 Conformers 5.827505827505828E-4 Crystallization 0.07663170163170163 DFTB Plus 0.002913752913752914 DMol3 0.15034965034965034 DPD 0.002331002331002331 Discover 0.003787878787878788 Forcite 0.543997668997669 GULP 0.015734265734265736 Kinetix 2.913752913752914E-4 LUDI 0.0034965034965034965 LibDock 0.06264568764568765 LigandFit 0.0034965034965034965 MCSS 0.0 MODELER 0.2261072261072261 MesoDyn 0.0 Mesocite 0.003205128205128205 Mesoscale 0.005536130536130536 Morphology 0.017773892773892772 ONETEP 0.0011655011655011655 Polymorph 0.001456876456876457 QMERA 2.913752913752914E-4 QSAR 2.913752913752914E-4 Quantum Mechanics 0.46678321678321677 Reflex 0.055652680652680656 Reflex Plus 2.913752913752914E-4 Semi-empirical 0.004953379953379953 Sorption 0.05914918414918415 Synthia 0.0011655011655011655 TURBOMOLE 0.0 VAMP 0.0011655011655011655 Visualization 0.6351981351981352 X-Cell 0.0020396270396270395 ZDOCK 0.02505827505827506

Year

2024 0.18770301624129931 2025 1.0 2026 0.8215777262180974 2027 0.0

Keywords

target 1.0 potential 0.2972251075827274 analysis 0.21175248553197804 docking 0.19869416827422468 visualization 0.14690606914972548 between 0.14393826977296334 promising 0.08591779195726369 energy 0.08428550230004452 novel 0.0839887223623683 cell 0.06633031607063362 binding 0.06098827719246179 performance 0.05772369787802344 stability 0.0452589404956225 activity 0.037097492209526635 including 0.023000445169906514 enhanced 0.020774595637334917 strong 0.01973586585546817 experimental 0.018548746104763317 mechanism 0.016619676509867932 synthesized 0.013948657070782015 development 0.013503487164267695 effective 0.013058317257753376 strategy 0.012613147351239057 design 0.004600089033981303 interaction 0.0
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