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Application

Discovery Studio 0.6489945155393053 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.055741360089186176 Amorphous Cell 0.30434782608695654 Blends 0.0011148272017837235 CASTEP 0.26198439241917504 CDOCKER 0.12374581939799331 CHARMm 0.1794871794871795 COMPASS 0.37681159420289856 COMPASS III 0.1326644370122631 COSMObase 0.004459308807134894 COSMOconf 0.011148272017837236 COSMOmic 0.0 COSMOperm 0.0011148272017837235 COSMOplex 0.0 COSMOtherm 0.08361204013377926 Catalyst 0.06020066889632107 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.0903010033444816 DFTB Plus 0.002229654403567447 DMol3 0.11259754738015608 DPD 0.002229654403567447 Discover 0.004459308807134894 Forcite 0.5930880713489409 GULP 0.008918617614269788 Kinetix 0.0 LibDock 0.04793756967670011 LigandFit 0.0 MODELER 0.16499442586399107 Mesocite 0.0033444816053511705 Mesoscale 0.005574136008918618 Morphology 0.0189520624303233 ONETEP 0.002229654403567447 Polymorph 0.002229654403567447 Quantum Mechanics 0.3734671125975474 Reflex 0.06465997770345597 Reflex Plus 0.0 Semi-empirical 0.002229654403567447 Sorption 0.07469342251950947 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.5340022296544036 X-Cell 0.0011148272017837235 ZDOCK 0.016722408026755852

Year

2025 0.6289409862570736 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.26021370207416716 analysis 0.19736015084852293 docking 0.14833438089252043 between 0.12319296040226273 visualization 0.11627906976744186 energy 0.08485229415461974 performance 0.08170961659333752 cell 0.07416719044626022 novel 0.07228158390949088 promising 0.07165304839723445 strategy 0.05091137649277184 binding 0.04336895034569453 stability 0.03205531112507857 strong 0.028912633563796353 activity 0.028284098051539912 enhanced 0.01759899434318039 synthesized 0.014456316781898177 design 0.013827781269641735 mechanism 0.01005656819610308 including 0.008799497171590195 efficient 0.008170961659333752 effective 0.006285355122564425 experimental 0.0056568196103079825 development 0.0
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