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Application

Discovery Studio 0.892018779342723 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.053864168618266976 Amorphous Cell 0.27946916471506633 Blends 0.00156128024980484 CASTEP 0.26385636221701797 CDOCKER 0.156128024980484 CHARMm 0.2466822794691647 COMPASS 0.3481654957064793 COMPASS III 0.12568306010928962 COSMObase 0.00234192037470726 COSMOconf 0.00624512099921936 COSMOmic 0.0 COSMOperm 7.8064012490242E-4 COSMOtherm 0.05932864949258392 Catalyst 0.06167056986729118 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.0741608118657299 DFTB Plus 0.00156128024980484 DMol3 0.11553473848555816 DPD 0.00234192037470726 Discover 0.00468384074941452 Forcite 0.5456674473067916 GULP 0.00858704137392662 Kinetix 0.0 LUDI 7.8064012490242E-4 LibDock 0.0585480093676815 LigandFit 0.00312256049960968 MODELER 0.20140515222482436 Mesocite 0.00312256049960968 Mesoscale 0.00468384074941452 Morphology 0.01483216237314598 ONETEP 0.00156128024980484 Polymorph 0.00156128024980484 Quantum Mechanics 0.3770491803278688 Reflex 0.05542544886807182 Reflex Plus 0.0 Semi-empirical 0.00234192037470726 Sorption 0.0624512099921936 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.615144418423107 X-Cell 0.0 ZDOCK 0.02654176424668228

Year

2025 0.8530487804878049 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.2935973041280539 analysis 0.21314237573715247 docking 0.2068239258635215 visualization 0.15627632687447346 between 0.13395113732097724 promising 0.08298230834035383 energy 0.08003369839932603 novel 0.07540016849199663 binding 0.07329401853411963 cell 0.07034540859309182 performance 0.06571187868576242 activity 0.05265374894692502 strong 0.04465037910699242 stability 0.038753159224936815 strategy 0.02443133951137321 enhanced 0.02106149957877001 including 0.02106149957877001 mechanism 0.020219039595619208 development 0.016849199663016005 effective 0.014743049705139006 design 0.013479359730412805 experimental 0.013058129738837404 synthesized 0.010109519797809604 interaction 0.0
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