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Application

Discovery Studio 0.7216716932356743 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0718475073313783 Amorphous Cell 0.29560117302052785 Blends 0.002346041055718475 CASTEP 0.4087976539589443 CDOCKER 0.14281524926686218 CHARMm 0.22727272727272727 COMPASS 0.36862170087976537 COMPASS III 0.08826979472140763 COSMObase 0.0035190615835777126 COSMOconf 0.0061583577712609975 COSMOperm 8.797653958944282E-4 COSMOplex 0.0 COSMOquick 0.0017595307917888563 COSMOtherm 0.07360703812316716 Cantera 0.0 Catalyst 0.06304985337243402 Classical Simulations 1.0 Conformers 2.932551319648094E-4 Crystallization 0.07360703812316716 DFTB Plus 0.007331378299120235 DMol3 0.1809384164222874 DPD 0.0032258064516129032 Discover 0.0035190615835777126 Forcite 0.5683284457478006 GULP 0.02346041055718475 Kinetix 2.932551319648094E-4 LUDI 0.0032258064516129032 LibDock 0.05923753665689149 LigandFit 0.002932551319648094 MODELER 0.2217008797653959 MesoDyn 0.0011730205278592375 Mesocite 0.002346041055718475 Mesoscale 0.006744868035190616 Modules 0.0 Morphology 0.01788856304985337 ONETEP 8.797653958944282E-4 Polymorph 0.0011730205278592375 QSAR 0.001466275659824047 Quantum Mechanics 0.5774193548387097 Reflex 0.05278592375366569 Reflex Plus 0.0011730205278592375 Semi-empirical 0.00909090909090909 Sorption 0.0563049853372434 Synthia 0.001466275659824047 TURBOMOLE 2.932551319648094E-4 VAMP 0.001466275659824047 Visualization 0.5885630498533725 X-Cell 0.0017595307917888563 ZDOCK 0.02375366568914956

Year

2025 0.0

Keywords

target 1.0 potential 0.2951584144836099 analysis 0.19613221780277054 between 0.16966122616924975 docking 0.16760389521327665 visualization 0.12220545878480318 energy 0.10670689891647236 novel 0.09546015635715266 promising 0.08695652173913043 cell 0.07337813742970786 binding 0.06089699629680428 performance 0.05362776025236593 stability 0.05253051707584693 including 0.04388972706075984 experimental 0.03867782197229461 activity 0.0344260046632835 development 0.026608147030585654 interaction 0.023865039089288165 strong 0.023316417501028665 enhanced 0.022356329721574544 effective 0.021807708133315045 synthesized 0.02016184336853655 mechanism 0.01741873542723906 design 5.48621588259498E-4 synthesis 0.0
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