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Application

Discovery Studio 1.0 Materials Studio 0.7637855371112383 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.059684995855208624 Amorphous Cell 0.2536612323846366 Blends 0.0024868748273003593 CASTEP 0.29206963249516443 CDOCKER 0.20420005526388504 CHARMm 0.32716219950262504 COMPASS 0.30892511743575574 COMPASS III 0.10196186791931473 COSMObase 0.004697430229345123 COSMOconf 0.0060790273556231 COSMOmic 0.0 COSMOperm 5.526388505111909E-4 COSMOplex 2.7631942525559546E-4 COSMOquick 0.0011052777010223818 COSMOtherm 0.06382978723404255 Catalyst 0.09367228516164687 Classical Simulations 1.0 Conformers 5.526388505111909E-4 Crystallization 0.07156673114119923 DFTB Plus 0.003592152528322741 DMol3 0.13871235147830893 DPD 0.00303951367781155 Discover 0.004421110804089527 Forcite 0.48245371649626967 GULP 0.014921248963802156 Kinetix 2.7631942525559546E-4 LUDI 0.004973749654600719 LibDock 0.08427742470295661 LigandFit 0.005250069079856314 MCSS 2.7631942525559546E-4 MODELER 0.29676706272450953 MesoDyn 5.526388505111909E-4 Mesocite 0.0024868748273003593 Mesoscale 0.005802707930367505 Morphology 0.01657916551533573 ONETEP 0.0011052777010223818 Polymorph 0.0019342359767891683 QMERA 0.0 QSAR 5.526388505111909E-4 Quantum Mechanics 0.42359767891682787 Reflex 0.051395413097540754 Reflex Plus 5.526388505111909E-4 Semi-empirical 0.004973749654600719 Sorption 0.05222437137330754 Synthia 8.289582757667864E-4 TURBOMOLE 0.0 VAMP 8.289582757667864E-4 Visualization 0.7957999447361149 X-Cell 0.0013815971262779773 ZDOCK 0.03426360873169384

Year

2024 0.4281102023245803 2025 1.0 2026 0.7122255703831253 2027 0.0

Keywords

target 1.0 potential 0.30354013319313006 docking 0.24652412665030962 analysis 0.2112396307979904 visualization 0.17385208552400983 between 0.12513144058885384 novel 0.09545507652763173 binding 0.09241733847412081 promising 0.088211239630798 activity 0.05911905596448183 cell 0.047552284145344084 energy 0.04474821824979554 stability 0.03224675779880827 including 0.02663862600771118 synthesized 0.01916111695291506 development 0.01904428087393387 protein 0.018226428321065545 effective 0.016240214978385327 strong 0.013786657319780349 performance 0.012384624372006076 mechanism 0.011566771819137749 therapeutic 0.010281574950344666 synthesis 0.00958055847645753 interaction 0.009230050239513963 vitro 0.0
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