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Application

Discovery Studio 1.0 Materials Studio 0.7155990510083037 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05527865881286815 Amorphous Cell 0.25283189850475757 Blends 9.062075215224287E-4 CASTEP 0.29950158586316267 CDOCKER 0.21658359764386045 CHARMm 0.34299954689623924 COMPASS 0.3257816039873131 COMPASS III 0.08110557317625736 COSMObase 0.0018124150430448573 COSMOconf 0.002718622564567286 COSMOmic 0.0 COSMOperm 0.0 COSMOquick 0.0022655188038060714 COSMOtherm 0.050747621205256006 Catalyst 0.09379247847757137 Classical Simulations 1.0 Crystallization 0.06570004531037607 DFTB Plus 0.005437245129134572 DMol3 0.13547802446760307 DPD 0.0031717263253285004 Discover 0.0018124150430448573 Forcite 0.48210240144993205 GULP 0.019483461712732214 LUDI 0.004531037607612143 LibDock 0.08699592206615316 LigandFit 0.004531037607612143 MODELER 0.329859537834164 MesoDyn 0.001359311282283643 Mesocite 0.001359311282283643 Mesoscale 0.0058903488898957865 Modules 0.0 Morphology 0.014499320344358859 ONETEP 0.0 Polymorph 0.001359311282283643 QSAR 4.5310376076121433E-4 Quantum Mechanics 0.4245582238332578 Reflex 0.048482102401449935 Reflex Plus 0.0022655188038060714 Semi-empirical 0.006343452650657001 Sorption 0.044404168554599006 Synthia 4.5310376076121433E-4 VAMP 4.5310376076121433E-4 Visualization 0.8142274580879021 X-Cell 9.062075215224287E-4 ZDOCK 0.03579519710013593

Year

2025 0.0

Keywords

target 1.0 potential 0.3481437598736177 docking 0.26875987361769355 analysis 0.22097156398104265 visualization 0.18364928909952608 between 0.1382306477093207 novel 0.1141390205371248 binding 0.10880726698262243 promising 0.09814375987361769 activity 0.07089257503949448 cell 0.04897314375987362 including 0.04364139020537125 energy 0.043246445497630334 stability 0.04028436018957346 therapeutic 0.03060821484992101 interaction 0.025078988941548183 development 0.024684044233807267 protein 0.02112954186413902 effective 0.016587677725118485 strong 0.016390205371248027 synthesized 0.015007898894154818 synthesis 0.007306477093206951 mechanism 0.005529225908372828 silico 0.005134281200631911 vitro 0.0
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