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Application

Discovery Studio 1.0 Materials Studio 0.17306791569086652 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.017857142857142856 Amorphous Cell 0.060267857142857144 Blends 0.0 CASTEP 0.09910714285714285 CDOCKER 0.23169642857142858 CHARMm 0.3669642857142857 COMPASS 0.10758928571428572 COMPASS III 0.010267857142857143 COSMObase 4.464285714285714E-4 COSMOconf 4.464285714285714E-4 COSMOperm 0.0 COSMOquick 4.464285714285714E-4 COSMOtherm 0.015625 Catalyst 0.14866071428571428 Classical Simulations 0.5584821428571428 Crystallization 0.021875 DFTB Plus 0.0035714285714285713 DMol3 0.04375 DPD 0.0 Forcite 0.12544642857142857 GULP 0.008482142857142856 LUDI 0.004464285714285714 LibDock 0.10267857142857142 LigandFit 0.00625 MCSS 0.0013392857142857143 MODELER 0.35044642857142855 MesoDyn 4.464285714285714E-4 Mesocite 0.0 Mesoscale 0.0013392857142857143 Morphology 0.0040178571428571425 Polymorph 4.464285714285714E-4 QSAR 4.464285714285714E-4 Quantum Mechanics 0.1392857142857143 Reflex 0.016517857142857143 Semi-empirical 0.004464285714285714 Sorption 0.011607142857142858 Synthia 0.0013392857142857143 TURBOMOLE 0.0 VAMP 4.464285714285714E-4 Visualization 1.0 X-Cell 0.0 ZDOCK 0.04107142857142857

Year

2024 0.0

Keywords

target 1.0 docking 0.45493257629524486 potential 0.38396025550035484 visualization 0.3420865862313698 analysis 0.2604684173172463 binding 0.17127986751833452 activity 0.13863259995268512 novel 0.13863259995268512 protein 0.11663118050626922 between 0.10078069552874379 silico 0.06789685356044475 vitro 0.06789685356044475 promising 0.06056304707830613 drug 0.047551454932576294 interaction 0.0454222853087296 synthesis 0.03785190442394133 compound 0.035249585994795364 therapeutic 0.03288384196829903 treatment 0.03075467234445233 inhibition 0.028152353915306363 synthesized 0.016087059380175066 development 0.0134847409510291 including 0.006860657676839366 mechanism 0.0016560208185474332 effective 0.0
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