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Application

Discovery Studio 1.0 Materials Studio 0.02755430410297667 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.004694835680751174 Amorphous Cell 0.012128325508607199 CASTEP 0.012128325508607199 CDOCKER 0.23161189358372458 CHARMm 0.37245696400625977 COMPASS 0.021517996870109544 COMPASS III 0.0019561815336463224 COSMOperm 0.0 COSMOtherm 0.0011737089201877935 Catalyst 0.15492957746478872 Classical Simulations 0.4119718309859155 Crystallization 0.003912363067292645 DFTB Plus 0.0 DMol3 0.004694835680751174 Forcite 0.02543035993740219 GULP 0.001564945226917058 LUDI 0.003912363067292645 LibDock 0.09898278560250391 LigandFit 0.007042253521126761 MCSS 0.0011737089201877935 MODELER 0.3532863849765258 MesoDyn 0.0 Mesoscale 0.0 Morphology 3.912363067292645E-4 Polymorph 0.0 Quantum Mechanics 0.016823161189358372 Reflex 0.0027386541471048514 Semi-empirical 0.0 Sorption 0.001564945226917058 Visualization 1.0 ZDOCK 0.03873239436619718

Year

2024 0.0

Keywords

target 1.0 docking 0.558974358974359 potential 0.42735042735042733 visualization 0.41196581196581195 analysis 0.27936507936507937 binding 0.21684981684981686 activity 0.1641025641025641 protein 0.15506715506715507 novel 0.14945054945054945 vitro 0.09035409035409035 silico 0.08864468864468865 between 0.06984126984126984 drug 0.06691086691086691 promising 0.05518925518925519 compound 0.0547008547008547 therapeutic 0.053235653235653234 treatment 0.04371184371184371 synthesis 0.04322344322344322 interaction 0.042002442002442006 inhibition 0.04053724053724054 synthesized 0.013431013431013432 potent 0.011233211233211233 development 0.01098901098901099 modeler 0.006349206349206349 including 0.0
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