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Application

Discovery Studio 0.8224441833137486 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06513761467889909 Amorphous Cell 0.2941896024464832 Blends 0.0021406727828746177 CASTEP 0.363302752293578 CDOCKER 0.14678899082568808 CHARMm 0.23318042813455658 COMPASS 0.36406727828746177 COMPASS III 0.1 COSMObase 0.0044342507645259936 COSMOconf 0.005504587155963303 COSMOmic 1.529051987767584E-4 COSMOperm 9.174311926605505E-4 COSMOplex 1.529051987767584E-4 COSMOquick 0.0016819571865443425 COSMOtherm 0.06712538226299694 Catalyst 0.07660550458715597 Classical Simulations 1.0 Conformers 4.5871559633027525E-4 Crystallization 0.0717125382262997 DFTB Plus 0.0044342507645259936 DMol3 0.16498470948012234 DPD 0.0021406727828746177 Discover 0.0035168195718654435 Forcite 0.55565749235474 GULP 0.02110091743119266 Kinetix 1.529051987767584E-4 LUDI 0.003211009174311927 LibDock 0.06284403669724771 LigandFit 0.003363914373088685 MCSS 4.5871559633027525E-4 MODELER 0.2235474006116208 MesoDyn 6.116207951070336E-4 Mesocite 0.003211009174311927 Mesoscale 0.005810397553516819 Modules 0.0 Morphology 0.016819571865443424 ONETEP 9.174311926605505E-4 Polymorph 0.001987767584097859 QMERA 1.529051987767584E-4 QSAR 6.116207951070336E-4 Quantum Mechanics 0.5178899082568807 Reflex 0.051834862385321104 Reflex Plus 0.0010703363914373089 Semi-empirical 0.005810397553516819 Sorption 0.05825688073394496 Synthia 0.0012232415902140672 TURBOMOLE 4.5871559633027525E-4 VAMP 9.174311926605505E-4 Visualization 0.6495412844036698 X-Cell 0.0015290519877675841 ZDOCK 0.025535168195718654

Year

2023 0.002050580997949419 2024 0.43255866940077464 2025 1.0 2026 0.4839371155160629 2027 0.0

Keywords

target 1.0 potential 0.287833174241868 analysis 0.20280490491225495 docking 0.18804611204934282 between 0.15911594096482856 visualization 0.15045157500550702 energy 0.09912622072105147 novel 0.0961891475145018 promising 0.07974153755782362 cell 0.07305969601292313 binding 0.06145825684705191 performance 0.05558411043395257 stability 0.04596519568250239 activity 0.04075189074087671 experimental 0.0287833174241868 effective 0.025993097877964607 including 0.025993097877964607 synthesized 0.022248329539613775 mechanism 0.02129378074748513 interaction 0.018576988031426683 development 0.018503561201262942 enhanced 0.01791614655995301 strong 0.006094426903590572 design 0.0058007195829356045 synthesis 0.0
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