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Application

Discovery Studio 0.8369294605809129 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06253177427554651 Amorphous Cell 0.28825622775800713 Blends 0.0020335536349771225 CASTEP 0.30604982206405695 CDOCKER 0.14794102694458566 CHARMm 0.2313167259786477 COMPASS 0.3538383324860193 COMPASS III 0.11794611082867311 COSMObase 0.004067107269954245 COSMOconf 0.0071174377224199285 COSMOmic 0.0 COSMOperm 0.0010167768174885613 COSMOplex 5.083884087442806E-4 COSMOquick 0.0 COSMOtherm 0.06863243518047789 Catalyst 0.06761565836298933 Classical Simulations 1.0 Conformers 5.083884087442806E-4 Crystallization 0.0838840874428063 DFTB Plus 0.002541942043721403 DMol3 0.13573970513472292 DPD 0.002541942043721403 Discover 0.0035587188612099642 Forcite 0.5526182003050331 GULP 0.012201321809862735 Kinetix 0.0 LUDI 0.0020335536349771225 LibDock 0.057447890188103715 LigandFit 0.0020335536349771225 MODELER 0.21657346212506354 Mesocite 0.004067107269954245 Mesoscale 0.0066090493136756485 Morphology 0.019318759532282664 ONETEP 0.0010167768174885613 Polymorph 0.001525165226232842 QMERA 0.0 Quantum Mechanics 0.4367056431113371 Reflex 0.061006609049313675 Reflex Plus 5.083884087442806E-4 Semi-empirical 0.004067107269954245 Sorption 0.061006609049313675 Synthia 5.083884087442806E-4 TURBOMOLE 0.0 VAMP 5.083884087442806E-4 Visualization 0.6192170818505338 X-Cell 0.0010167768174885613 ZDOCK 0.021860701576004067

Year

2024 0.02513747054202671 2025 0.8680282796543598 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.31057268722466963 analysis 0.22466960352422907 docking 0.20209251101321585 visualization 0.15501101321585903 between 0.1428964757709251 promising 0.09636563876651982 novel 0.09251101321585903 energy 0.08149779735682819 cell 0.07461453744493392 binding 0.07213656387665199 performance 0.0652533039647577 stability 0.05644273127753304 activity 0.044328193832599116 strong 0.03551762114537445 strategy 0.03386563876651982 enhanced 0.03138766519823789 including 0.025330396475770924 effective 0.02092511013215859 mechanism 0.020099118942731278 development 0.01762114537444934 synthesized 0.016244493392070486 design 0.012114537444933921 experimental 0.007984581497797356 interaction 0.0
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