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Application

Discovery Studio 1.0 Materials Studio 0.8628481345244351 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04720161834120027 Amorphous Cell 0.2710721510451787 Blends 0.0013486176668914363 CASTEP 0.2521915037086986 CDOCKER 0.18071476736345246 CHARMm 0.2872555630478759 COMPASS 0.32434254888739045 COMPASS III 0.12002697235333783 COSMObase 0.0026972353337828725 COSMOconf 0.008766014834794335 COSMOmic 0.0 COSMOperm 6.743088334457181E-4 COSMOplex 6.743088334457181E-4 COSMOtherm 0.06136210384356035 Catalyst 0.0856372218476062 Classical Simulations 1.0 Conformers 6.743088334457181E-4 Crystallization 0.0782198246797033 DFTB Plus 0.0026972353337828725 DMol3 0.11598111935266352 DPD 0.0020229265003371545 Discover 0.004045853000674309 Forcite 0.5178691840863116 GULP 0.008766014834794335 Kinetix 0.0 LUDI 0.0020229265003371545 LibDock 0.07552258934592043 LigandFit 0.0026972353337828725 MODELER 0.2609575185434929 Mesocite 0.004720161834120027 Mesoscale 0.006068779501011463 Morphology 0.01753202966958867 ONETEP 0.0013486176668914363 Polymorph 0.0020229265003371545 Quantum Mechanics 0.366149696561025 Reflex 0.055967633175994604 Reflex Plus 0.0 Semi-empirical 0.0026972353337828725 Sorption 0.06203641267700607 Synthia 0.0013486176668914363 TURBOMOLE 0.0 Visualization 0.7309507754551584 X-Cell 6.743088334457181E-4 ZDOCK 0.029669588671611596

Year

2025 1.0 2026 0.9159536990437847 2027 0.0

Keywords

target 1.0 potential 0.32053422370617696 docking 0.24641068447412354 analysis 0.22036727879799667 visualization 0.18096828046744573 between 0.12220367278797997 novel 0.09649415692821368 promising 0.09616026711185309 binding 0.08747913188647746 activity 0.061101836393989986 cell 0.05943238731218698 energy 0.051085141903171954 stability 0.04273789649415693 including 0.039065108514190316 strong 0.0343906510851419 therapeutic 0.03138564273789649 performance 0.02904841402337229 strategy 0.02604340567612688 development 0.022370617696160267 mechanism 0.017696160267111852 effective 0.014023372287145243 synthesized 0.010684474123539232 enhanced 0.00667779632721202 design 3.33889816360601E-4 interaction 0.0
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