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Application

Discovery Studio 1.0 Materials Studio 0.8052208835341366 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05624227441285538 Amorphous Cell 0.2592707045735476 Blends 0.001854140914709518 CASTEP 0.28708281829419036 CDOCKER 0.1931396786155748 CHARMm 0.31334981458590855 COMPASS 0.3210754017305315 COMPASS III 0.10074165636588381 COSMObase 0.004326328800988875 COSMOconf 0.0058714462299134735 COSMOmic 0.0 COSMOperm 6.180469715698393E-4 COSMOplex 3.0902348578491963E-4 COSMOquick 6.180469715698393E-4 COSMOtherm 0.05871446229913473 Catalyst 0.08745364647713226 Classical Simulations 1.0 Conformers 3.0902348578491963E-4 Crystallization 0.07045735475896168 DFTB Plus 0.002781211372064277 DMol3 0.13535228677379482 DPD 0.001854140914709518 Discover 0.004326328800988875 Forcite 0.4935105067985167 GULP 0.013906056860321385 Kinetix 0.0 LUDI 0.0046353522867737945 LibDock 0.0788009888751545 LigandFit 0.003708281829419036 MODELER 0.29357231149567364 MesoDyn 0.0 Mesocite 0.0030902348578491965 Mesoscale 0.004944375772558714 Morphology 0.016069221260815822 ONETEP 6.180469715698393E-4 Polymorph 0.002472187886279357 QMERA 3.0902348578491963E-4 QSAR 3.0902348578491963E-4 Quantum Mechanics 0.415327564894932 Reflex 0.05067985166872682 Reflex Plus 6.180469715698393E-4 Semi-empirical 0.0040173053152039555 Sorption 0.0550061804697157 Synthia 6.180469715698393E-4 TURBOMOLE 0.0 VAMP 3.0902348578491963E-4 Visualization 0.7592707045735476 X-Cell 0.0015451174289245982 ZDOCK 0.032138442521631644

Year

2024 0.2847275518035303 2025 1.0 2026 0.9306728063443336 2027 0.0

Keywords

target 1.0 potential 0.3403342020542695 docking 0.27134753947570134 analysis 0.2414533190249885 visualization 0.18718381112984822 between 0.13414073279166028 binding 0.09903418672390005 novel 0.09903418672390005 promising 0.09765445347232868 activity 0.06316112218304461 cell 0.05641575961980684 energy 0.051510041391997545 stability 0.03786601257090296 including 0.026214931779855895 strong 0.022075732025141806 effective 0.01839644335428484 development 0.016403495324237315 performance 0.015330369461904032 synthesized 0.014717154683427871 protein 0.013644028821094589 therapeutic 0.010271347539475702 enhanced 0.007051969952475855 mechanism 0.006745362563237774 interaction 0.004292503449333129 synthesis 0.0
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