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Application

Discovery Studio 1.0 Materials Studio 0.44031496062992126 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.037699371677138716 Amorphous Cell 0.11309811503141615 Blends 0.0014499758337361043 CASTEP 0.23779603673272112 CDOCKER 0.20589656839052684 CHARMm 0.2542290961817303 COMPASS 0.19671338811019817 COMPASS III 0.006766553890768487 COSMObase 4.833252779120348E-4 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 9.666505558240696E-4 COSMOquick 4.833252779120348E-4 COSMOtherm 0.04639922667955534 Catalyst 0.16819719671338812 Classical Simulations 0.597873368777187 Conformers 4.833252779120348E-4 Crystallization 0.04253262445625906 DFTB Plus 0.004833252779120348 DMol3 0.11841469308844853 DPD 0.0014499758337361043 Discover 0.010633156114064766 Forcite 0.21604639922667956 GULP 0.01401643305944901 LUDI 0.007733204446592557 LibDock 0.08216529724504591 LigandFit 0.01014983083615273 MCSS 0.0019333011116481392 MODELER 0.09376510391493476 MesoDyn 9.666505558240696E-4 Mesocite 0.0038666022232962784 Mesoscale 0.007249879168680522 Morphology 0.011599806669888834 ONETEP 4.833252779120348E-4 Polymorph 0.0014499758337361043 QSAR 0.0019333011116481392 Quantum Mechanics 0.35041082648622524 Reflex 0.028999516674722087 Reflex Plus 0.0014499758337361043 Semi-empirical 0.006766553890768487 Sorption 0.019816336394393428 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0014499758337361043 Visualization 1.0 X-Cell 0.0 ZDOCK 0.041082648622522956

Year

2022 0.0

Keywords

target 1.0 visualization 0.34355977599220844 docking 0.3046018991964938 potential 0.22157292427562697 analysis 0.14243973703433163 between 0.11492573654735817 binding 0.10981251521792063 novel 0.09982955928901875 activity 0.09374239103968833 protein 0.06744582420258095 interaction 0.05502800097394692 synthesis 0.0413927440954468 synthesized 0.03579254930606282 drug 0.029948867786705625 vitro 0.028731434136839543 silico 0.02483564645726808 cell 0.024348672997321647 compound 0.023618212807401995 experimental 0.017531044558071585 inhibition 0.01728755782809837 well 0.016313610908205503 energy 0.01095690284879474 treatment 0.009495982468955442 mechanism 0.009009009009009009 design 0.0
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