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Application

Discovery Studio 1.0 Materials Studio 0.9705014749262537 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.056329849012775844 Amorphous Cell 0.2706155632984901 Blends 0.003484320557491289 CASTEP 0.28397212543554007 CDOCKER 0.17073170731707318 CHARMm 0.27293844367015097 COMPASS 0.3321718931475029 COMPASS III 0.11149825783972125 COSMObase 0.0040650406504065045 COSMOconf 0.004645760743321719 COSMOmic 0.0 COSMOperm 0.0011614401858304297 COSMOtherm 0.06155632984901278 Catalyst 0.07317073170731707 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07142857142857142 DFTB Plus 0.0011614401858304297 DMol3 0.1207897793263647 DPD 0.0017421602787456446 Discover 0.004645760743321719 Forcite 0.5220673635307782 GULP 0.012775842044134728 Kinetix 0.0 LUDI 0.003484320557491289 LibDock 0.06968641114982578 LigandFit 0.003484320557491289 MODELER 0.24680603948896632 Mesocite 0.003484320557491289 Mesoscale 0.004645760743321719 Morphology 0.014518002322880372 ONETEP 0.0011614401858304297 Polymorph 0.0023228803716608595 QMERA 0.0 Quantum Mechanics 0.40011614401858303 Reflex 0.052845528455284556 Reflex Plus 0.0 Semi-empirical 0.0023228803716608595 Sorption 0.056910569105691054 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.6655052264808362 X-Cell 0.0011614401858304297 ZDOCK 0.03077816492450639

Year

2024 0.08031569173630455 2025 0.9196843082636954 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.32717759310557093 docking 0.23791935980301632 analysis 0.23361034164358263 visualization 0.16374269005847952 between 0.13204062788550322 promising 0.09541397353031703 novel 0.0920283164050477 binding 0.0871037242228378 cell 0.06371191135734072 activity 0.06124961526623576 energy 0.05817174515235457 strong 0.04155124653739612 stability 0.04032009849184364 performance 0.03970452446906741 including 0.023391812865497075 enhanced 0.020006155740227762 effective 0.018159433671899046 development 0.017851646660510926 strategy 0.012003693444136657 mechanism 0.009849184364419821 synthesized 0.009849184364419821 therapeutic 0.008310249307479225 design 0.007386888273314866 experimental 0.0
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