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Application

Discovery Studio 0.8619094008767657 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06704 Amorphous Cell 0.28912 Blends 0.0024 CASTEP 0.37856 CDOCKER 0.1488 CHARMm 0.23984 COMPASS 0.36096 COMPASS III 0.09408 COSMObase 0.00416 COSMOconf 0.00592 COSMOmic 0.0 COSMOperm 9.6E-4 COSMOplex 3.2E-4 COSMOquick 0.00112 COSMOtherm 0.0688 Cantera 0.0 Catalyst 0.08928 Classical Simulations 1.0 Conformers 4.8E-4 Crystallization 0.07408 DFTB Plus 0.00624 DMol3 0.1704 DPD 0.00256 Discover 0.00416 Forcite 0.54976 GULP 0.01984 Kinetix 3.2E-4 LUDI 0.00368 LibDock 0.06272 LigandFit 0.00352 MCSS 4.8E-4 MODELER 0.21216 MesoDyn 8.0E-4 Mesocite 0.0032 Mesoscale 0.00608 Morphology 0.01728 ONETEP 0.00128 Polymorph 0.00224 QMERA 1.6E-4 QSAR 0.00112 Quantum Mechanics 0.53904 Reflex 0.05328 Reflex Plus 6.4E-4 Semi-empirical 0.00768 Sorption 0.05824 Synthia 0.00144 TURBOMOLE 6.4E-4 VAMP 9.6E-4 Visualization 0.7016 X-Cell 0.00144 ZDOCK 0.02576

Year

2023 0.11982791345058838 2024 0.4564089586233076 2025 1.0 2026 0.5223332911552575 2027 0.0

Keywords

target 1.0 potential 0.2872509658359215 analysis 0.19922733126278314 docking 0.19771229452314218 visualization 0.16316945685932885 between 0.15642754336792666 novel 0.09211423377016893 energy 0.09097795621543822 promising 0.0713582304370881 cell 0.06514657980456026 binding 0.05976819937883494 performance 0.0415877585031437 activity 0.040375729111430954 stability 0.038633436860843876 experimental 0.026058631921824105 synthesized 0.022498295583667904 including 0.020074236800242406 effective 0.017044163320960534 interaction 0.015529126581319597 mechanism 0.014468600863570942 development 0.014317097189606848 enhanced 0.00878721308991743 strong 0.0017422922505870768 design 6.817665328384214E-4 synthesis 0.0
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