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Application

Discovery Studio 0.8768611670020121 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06088650754992694 Amorphous Cell 0.28397467121285924 Blends 0.001948368241597662 CASTEP 0.30053580126643936 CDOCKER 0.1505114466634194 CHARMm 0.24257184607890891 COMPASS 0.3463224549439844 COMPASS III 0.11933755479785679 COSMObase 0.003896736483195324 COSMOconf 0.007306380905991232 COSMOmic 0.0 COSMOperm 9.74184120798831E-4 COSMOplex 4.870920603994155E-4 COSMOquick 0.0 COSMOtherm 0.06819288845591817 Catalyst 0.069167072576717 Classical Simulations 1.0 Conformers 4.870920603994155E-4 Crystallization 0.08085728202630298 DFTB Plus 0.0034096444227959084 DMol3 0.1354115927910375 DPD 0.0014612761811982464 Discover 0.004870920603994155 Forcite 0.5421334632245495 GULP 0.013151485630784217 Kinetix 0.0 LUDI 0.001948368241597662 LibDock 0.06380905991232343 LigandFit 0.0024354603019970775 MODELER 0.21919142717973697 Mesocite 0.00438382854359474 Mesoscale 0.00535801266439357 Morphology 0.01802240623477837 ONETEP 9.74184120798831E-4 Polymorph 0.0014612761811982464 QMERA 0.0 Quantum Mechanics 0.4310764734534827 Reflex 0.059912323429128105 Reflex Plus 0.0 Semi-empirical 0.004870920603994155 Sorption 0.05893813930832927 Synthia 9.74184120798831E-4 TURBOMOLE 0.0 VAMP 4.870920603994155E-4 Visualization 0.6351680467608378 X-Cell 4.870920603994155E-4 ZDOCK 0.026302971261568435

Year

2025 0.8424483882651214 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.3111576741749607 analysis 0.2215819800942902 docking 0.20534311157674176 visualization 0.15505500261917235 between 0.1354112100576218 promising 0.09586170770036669 novel 0.0856469355683604 energy 0.07647983237297014 cell 0.06390780513357779 binding 0.06312205343111577 performance 0.05657412257726559 stability 0.047407019381875325 activity 0.044264012572027236 strong 0.03640649554740702 strategy 0.02540597171293871 including 0.025144054478784705 enhanced 0.022786799371398637 mechanism 0.017286537454164485 development 0.015191199580932426 effective 0.01388161341016239 synthesized 0.007333682556312206 design 0.004452592980618125 experimental 5.238344683080147E-4 therapeutic 0.0
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