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Application

Discovery Studio 0.32482043096568236 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0616170724376315 Amorphous Cell 0.2867448151487827 Blends 0.002705139765554554 CASTEP 0.017132551848512173 CDOCKER 0.06853020739404869 CHARMm 0.24556657649534114 COMPASS 0.35317102494740005 COMPASS III 0.10129245566576495 COSMObase 0.0 COSMOplex 0.0 COSMOtherm 9.017132551848512E-4 Catalyst 0.01142170123234145 Classical Simulations 1.0 Conformers 3.0057108506161706E-4 Crystallization 0.035467388037270814 DFTB Plus 0.0012022843402464682 DMol3 0.028854824165915238 DPD 3.0057108506161706E-4 Discover 0.00510970844604749 Forcite 0.5401262398557258 GULP 0.01743312293357379 LUDI 0.0015028554253080854 LibDock 0.01923654944394349 LigandFit 0.0018034265103697023 MODELER 0.04147880973850315 MesoDyn 0.0 Mesocite 0.0018034265103697023 Mesoscale 0.0024045686804929365 Modules 0.0 Morphology 0.016230838593327322 Polymorph 0.002705139765554554 QMERA 3.0057108506161706E-4 Quantum Mechanics 0.04448452058911933 Reflex 0.015930267508265705 Semi-empirical 0.0024045686804929365 Sorption 0.05740907724676886 Synthia 6.011421701232341E-4 VAMP 3.0057108506161706E-4 ZDOCK 0.008716561466786895

Year

2024 0.05934718100890208 2025 0.5746785361028685 2026 1.0 2027 0.0

Keywords

target 1.0 cell 0.2681912681912682 amorphous 0.21081081081081082 between 0.20332640332640334 potential 0.17297297297297298 performance 0.1600831600831601 energy 0.1442827442827443 analysis 0.11185031185031186 strategy 0.06943866943866944 enhanced 0.06777546777546778 experimental 0.051143451143451146 adsorption 0.04573804573804574 novel 0.04490644490644491 stability 0.03908523908523909 mechanism 0.037422037422037424 promising 0.03659043659043659 design 0.03201663201663202 surface 0.028690228690228692 efficient 0.020374220374220375 docking 0.016632016632016633 effective 0.011642411642411643 interaction 0.00997920997920998 strong 0.002079002079002079 water 4.158004158004158E-4 temperature 0.0
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