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Application

Discovery Studio 0.997721097379262 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06504249291784703 Amorphous Cell 0.27739376770538243 Blends 0.0022662889518413596 CASTEP 0.3805099150141643 CDOCKER 0.16475920679886685 CHARMm 0.25994334277620396 COMPASS 0.3561473087818697 COMPASS III 0.08838526912181303 COSMObase 0.00396600566572238 COSMOconf 0.004759206798866856 COSMOmic 1.1331444759206799E-4 COSMOperm 0.0012464589235127478 COSMOplex 2.2662889518413598E-4 COSMOquick 0.0015864022662889518 COSMOtherm 0.06436260623229462 Cantera 0.0 Catalyst 0.11580736543909348 Classical Simulations 1.0 Conformers 6.798866855524079E-4 Crystallization 0.07252124645892351 DFTB Plus 0.0056657223796034 DMol3 0.1709915014164306 DPD 0.002152974504249292 Discover 0.0031728045325779036 Forcite 0.5338243626062323 GULP 0.0230028328611898 Kinetix 2.2662889518413598E-4 LUDI 0.0037393767705382434 LibDock 0.07059490084985835 LigandFit 0.004985835694050991 MCSS 5.665722379603399E-4 MODELER 0.20226628895184137 MesoDyn 9.065155807365439E-4 Mesocite 0.0031728045325779036 Mesoscale 0.005892351274787535 Modules 0.0 Morphology 0.016770538243626062 ONETEP 0.0010198300283286118 Polymorph 0.0019263456090651558 QMERA 1.1331444759206799E-4 QSAR 0.0010198300283286118 Quantum Mechanics 0.5398300283286119 Reflex 0.05291784702549575 Reflex Plus 0.0010198300283286118 Semi-empirical 0.007252124645892351 Sorption 0.056543909348441924 Synthia 0.0015864022662889518 TURBOMOLE 4.5325779036827196E-4 VAMP 0.0012464589235127478 Visualization 0.8152974504249292 X-Cell 0.0014730878186968838 ZDOCK 0.028555240793201132

Year

2022 0.023232598239404666 2023 0.2816952536527816 2024 0.5337144931481985 2025 1.0 2026 0.3856974317088665 2027 0.0

Keywords

target 1.0 potential 0.29113733366808936 docking 0.22565905096660807 visualization 0.2030128044187798 analysis 0.20190810946522722 between 0.15626412252071303 novel 0.10429324629676123 energy 0.08757218177253327 binding 0.07506904343459704 promising 0.06899322119005774 cell 0.06457444137584735 activity 0.055787095154406226 stability 0.04122520713030379 interaction 0.03379362289731358 performance 0.03364298267637459 synthesized 0.031885513432086364 experimental 0.02992719055987949 development 0.022445392919909615 including 0.022043685664072308 effective 0.021491338187296007 mechanism 0.02043685664072307 protein 0.019332161687170474 synthesis 0.013658046698468491 design 0.00421792618629174 enhanced 0.0
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