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Application

Discovery Studio 1.0 Materials Studio 0.5236593059936908 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.039492242595204514 Amorphous Cell 0.22425952045133993 Blends 0.0 CASTEP 0.2143864598025388 CDOCKER 0.2834978843441467 CHARMm 0.4386459802538787 COMPASS 0.27221438645980256 COMPASS III 0.06205923836389281 COSMObase 0.0 COSMOconf 0.0028208744710860366 COSMOmic 0.0 COSMOperm 0.0014104372355430183 COSMOplex 0.0 COSMOquick 0.007052186177715092 COSMOtherm 0.047954866008462625 Catalyst 0.15514809590973203 Classical Simulations 1.0 Crystallization 0.0535966149506347 DFTB Plus 0.0028208744710860366 DMol3 0.14527503526093088 Forcite 0.4118476727785614 GULP 0.011283497884344146 LUDI 0.00846262341325811 LibDock 0.11706629055007052 LigandFit 0.009873060648801129 MCSS 0.0 MODELER 0.385049365303244 MesoDyn 0.0 Mesocite 0.0014104372355430183 Mesoscale 0.0028208744710860366 Morphology 0.011283497884344146 ONETEP 0.0014104372355430183 Polymorph 0.0 QSAR 0.0014104372355430183 Quantum Mechanics 0.3554301833568406 Reflex 0.039492242595204514 Semi-empirical 0.0028208744710860366 Sorption 0.03526093088857546 Synthia 0.0 Visualization 0.8349788434414669 X-Cell 0.0 ZDOCK 0.05077574047954866

Year

2023 0.0 2024 0.5085945399393327 2025 1.0 2026 0.4327603640040445

Keywords

development 1.0 target 0.9304655274012964 potential 0.39776075427224517 docking 0.2834413671184443 novel 0.22863877430760166 analysis 0.20683559222156747 promising 0.15262227460223923 visualization 0.14672952268709488 binding 0.11490866234531526 between 0.10253388332351208 activity 0.0713022981732469 therapeutic 0.06305244549204478 effective 0.05303476723629935 design 0.04478491455509723 protein 0.037124337065409546 cell 0.030642309958750738 including 0.025338833235120803 drug 0.01767825574543312 stability 0.01473187978786093 compound 0.01296405421331762 interaction 0.007071302298173247 treatment 0.00648202710665881 strong 0.0035356511490866236 inhibition 0.002357100766057749 mechanism 0.0
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