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Application

Discovery Studio 1.0 Materials Studio 0.5895249695493301 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.044444444444444446 Amorphous Cell 0.23768115942028986 Blends 0.001932367149758454 CASTEP 0.1961352657004831 CDOCKER 0.21642512077294687 CHARMm 0.35942028985507246 COMPASS 0.29178743961352654 COMPASS III 0.10531400966183575 COSMObase 0.002898550724637681 COSMOconf 0.007729468599033816 COSMOmic 0.0 COSMOperm 9.66183574879227E-4 COSMOtherm 0.06086956521739131 Catalyst 0.10821256038647344 Classical Simulations 1.0 Crystallization 0.06859903381642513 DFTB Plus 0.001932367149758454 DMol3 0.08019323671497584 DPD 0.001932367149758454 Discover 0.002898550724637681 Forcite 0.45893719806763283 GULP 0.00676328502415459 Kinetix 0.0 LUDI 0.001932367149758454 LibDock 0.09178743961352658 LigandFit 0.001932367149758454 MODELER 0.30821256038647343 Mesocite 0.002898550724637681 Mesoscale 0.004830917874396135 Morphology 0.01352657004830918 ONETEP 0.001932367149758454 Polymorph 9.66183574879227E-4 Quantum Mechanics 0.2763285024154589 Reflex 0.050241545893719805 Reflex Plus 0.0 Semi-empirical 0.001932367149758454 Sorption 0.05603864734299517 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.8695652173913043 X-Cell 0.0 ZDOCK 0.035748792270531404

Year

2025 1.0 2026 0.6389870435806831 2027 0.0

Keywords

target 1.0 potential 0.34356920338228747 docking 0.30485091232754785 analysis 0.2394303515798843 visualization 0.21495327102803738 binding 0.11615487316421896 novel 0.1032487761459724 promising 0.1032487761459724 between 0.10057854917668002 activity 0.08188696039163329 therapeutic 0.06319537160658656 cell 0.042723631508678236 including 0.03871829105473965 strong 0.03471295060080107 stability 0.03115264797507788 protein 0.016466399643969738 development 0.01557632398753894 synthesized 0.013796172674677348 mechanism 0.011570983533600357 effective 0.008900756564307966 energy 0.006230529595015576 synthesis 0.0035603026257231864 inhibition 0.0013351134846461949 vitro 8.900756564307966E-4 silico 0.0
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