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Application

Discovery Studio 1.0 Materials Studio 0.7104591836734694 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06401190919240789 Amorphous Cell 0.24116114625976925 Blends 0.00297729810197246 CASTEP 0.4168217342761444 CDOCKER 0.21697059918124303 CHARMm 0.3442500930405657 COMPASS 0.36285820617789355 COMPASS III 0.039077037588388534 COSMObase 3.721622627465575E-4 COSMOconf 7.44324525493115E-4 COSMOmic 0.0 COSMOperm 0.0011164867882396724 COSMOplex 0.0 COSMOquick 0.0011164867882396724 COSMOtherm 0.05284704131001117 Catalyst 0.14067733531819873 Classical Simulations 1.0 Conformers 7.44324525493115E-4 Crystallization 0.07480461481205805 DFTB Plus 0.008187569780424266 DMol3 0.18682545589877186 DPD 0.004838109415705247 Discover 0.00446594715295869 Forcite 0.4652028284331969 GULP 0.02940081875697804 LUDI 0.0033494603647190174 LibDock 0.09266840342389282 LigandFit 0.006698920729438035 MCSS 0.0011164867882396724 MODELER 0.3312244138444362 MesoDyn 0.00148864905098623 Mesocite 0.00446594715295869 Mesoscale 0.009304056568663937 Morphology 0.015630815035355416 ONETEP 0.0011164867882396724 Polymorph 0.0018608113137327876 QMERA 0.0 QSAR 0.002232973576479345 Quantum Mechanics 0.5928544845552661 Reflex 0.05731298846296985 Semi-empirical 0.01042054335690361 Sorption 0.04093784890212133 Synthia 7.44324525493115E-4 TURBOMOLE 3.721622627465575E-4 VAMP 0.00148864905098623 Visualization 0.9877186453293636 X-Cell 3.721622627465575E-4 ZDOCK 0.03684406401190919

Year

2024 0.0

Keywords

target 1.0 potential 0.2980386583285958 docking 0.2669130187606595 visualization 0.2056566230812962 analysis 0.198408186469585 between 0.14368959636156908 novel 0.09806708357021035 binding 0.08783399658897101 activity 0.0702103467879477 energy 0.045906765207504266 interaction 0.042495736213757816 promising 0.04135872654917567 protein 0.03681068789084707 cell 0.02870949403069926 synthesized 0.01733939738487777 stability 0.016628766344513927 synthesis 0.015349630471859011 effective 0.013644115974985787 mechanism 0.013217737350767481 development 0.011654349061967027 experimental 0.006679931779420125 vitro 0.004405912450255827 including 0.0017055144968732233 compound 0.0015633882888004549 silico 0.0
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