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Application

Discovery Studio 1.0 Materials Studio 0.01467645096731154 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0 Amorphous Cell 0.0 CASTEP 0.004580152671755725 CDOCKER 0.2748091603053435 CHARMm 0.5099236641221374 COMPASS 0.0015267175572519084 COMPASS III 0.0030534351145038168 COSMOconf 0.0 COSMOtherm 0.0061068702290076335 Catalyst 0.0916030534351145 Classical Simulations 0.5297709923664122 Crystallization 0.0030534351145038168 DMol3 0.0061068702290076335 Forcite 0.00916030534351145 GULP 0.0015267175572519084 LUDI 0.00916030534351145 LibDock 0.13587786259541984 LigandFit 0.0030534351145038168 MODELER 0.5465648854961832 Mesocite 0.0 Mesoscale 0.0 Polymorph 0.0 Quantum Mechanics 0.012213740458015267 Reflex 0.0015267175572519084 Sorption 0.0015267175572519084 Visualization 1.0 X-Cell 0.0 ZDOCK 0.08091603053435115

Year

2024 0.4816326530612245 2025 1.0 2026 0.0

Keywords

protein 1.0 target 0.9655172413793104 docking 0.5788177339901478 potential 0.5229885057471264 analysis 0.34236453201970446 binding 0.3218390804597701 visualization 0.28407224958949095 therapeutic 0.11822660098522167 novel 0.11001642036124795 activity 0.10509031198686371 promising 0.07799671592775041 between 0.07389162561576355 stability 0.05829228243021346 silico 0.05582922824302135 treatment 0.04351395730706076 drug 0.04187192118226601 vitro 0.03940886699507389 interaction 0.034482758620689655 modeler 0.03366174055829228 including 0.026272577996715927 role 0.008210180623973728 compound 0.005747126436781609 development 0.0049261083743842365 inhibition 0.0016420361247947454 binding affinity 0.0
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