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Application

Discovery Studio 1.0 Materials Studio 0.7941307247665629 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05015479876160991 Amorphous Cell 0.2544891640866873 Blends 0.0 CASTEP 0.27306501547987616 CDOCKER 0.19690402476780186 CHARMm 0.31145510835913315 COMPASS 0.32074303405572757 COMPASS III 0.10340557275541795 COSMObase 0.0043343653250774 COSMOconf 0.006811145510835914 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 6.191950464396285E-4 COSMOquick 6.191950464396285E-4 COSMOtherm 0.06130030959752322 Catalyst 0.09164086687306501 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07368421052631578 DFTB Plus 0.004953560371517028 DMol3 0.1386996904024768 DPD 6.191950464396285E-4 Discover 0.0018575851393188853 Forcite 0.49287925696594426 GULP 0.01609907120743034 Kinetix 0.0 LUDI 0.0037151702786377707 LibDock 0.07987616099071207 LigandFit 0.0037151702786377707 MODELER 0.30092879256965943 Mesocite 0.0018575851393188853 Mesoscale 0.0030959752321981426 Morphology 0.0173374613003096 ONETEP 6.191950464396285E-4 Polymorph 0.002476780185758514 QMERA 0.0 Quantum Mechanics 0.40619195046439627 Reflex 0.051393188854489166 Reflex Plus 6.191950464396285E-4 Semi-empirical 0.006191950464396285 Sorption 0.06253869969040247 Synthia 6.191950464396285E-4 VAMP 0.0 Visualization 0.7591331269349845 X-Cell 6.191950464396285E-4 ZDOCK 0.02910216718266254

Year

2024 0.28214285714285714 2025 1.0 2026 0.9219387755102041 2027 0.0

Keywords

target 1.0 potential 0.34686346863468637 docking 0.267220172201722 analysis 0.2420049200492005 visualization 0.18511685116851168 between 0.1343788437884379 novel 0.0965559655596556 promising 0.09501845018450185 binding 0.08917589175891759 activity 0.05627306273062731 energy 0.055965559655596554 cell 0.05412054120541206 stability 0.03198031980319803 including 0.027982779827798277 synthesized 0.017527675276752766 protein 0.014452644526445265 effective 0.013222632226322263 development 0.012915129151291513 performance 0.01076260762607626 strong 0.008610086100861008 synthesis 0.007687576875768758 therapeutic 0.006765067650676507 strategy 0.004920049200492005 mechanism 0.0033825338253382535 interaction 0.0
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