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Application

Discovery Studio 0.8228095937347039 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05337243401759531 Amorphous Cell 0.29149560117302054 Blends 0.0017595307917888563 CASTEP 0.27624633431085044 CDOCKER 0.14017595307917888 CHARMm 0.22991202346041056 COMPASS 0.3536656891495601 COMPASS III 0.12727272727272726 COSMObase 0.0035190615835777126 COSMOconf 0.008211143695014663 COSMOmic 0.0 COSMOperm 5.865102639296188E-4 COSMOplex 5.865102639296188E-4 COSMOtherm 0.06744868035190615 Catalyst 0.06803519061583578 Classical Simulations 1.0 Conformers 5.865102639296188E-4 Crystallization 0.08093841642228738 DFTB Plus 0.004105571847507331 DMol3 0.1313782991202346 DPD 0.0017595307917888563 Discover 0.004105571847507331 Forcite 0.5565982404692082 GULP 0.011730205278592375 Kinetix 0.0 LUDI 0.0011730205278592375 LibDock 0.05865102639296188 LigandFit 0.002346041055718475 MODELER 0.20410557184750733 Mesocite 0.004105571847507331 Mesoscale 0.005278592375366569 Morphology 0.01935483870967742 ONETEP 0.0011730205278592375 Polymorph 0.002346041055718475 QMERA 0.0 Quantum Mechanics 0.4035190615835777 Reflex 0.05747800586510264 Reflex Plus 0.0 Semi-empirical 0.00469208211143695 Sorption 0.06686217008797654 Synthia 0.0011730205278592375 TURBOMOLE 0.0 Visualization 0.592375366568915 X-Cell 0.0011730205278592375 ZDOCK 0.02346041055718475

Year

2025 0.7867194371152155 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.28770677911125525 analysis 0.20467077521894259 docking 0.18780408692831657 visualization 0.13525786571521245 between 0.1342847875445994 promising 0.08660395718456049 energy 0.07817061303924748 novel 0.07233214401556926 cell 0.06616931560168667 performance 0.0587090496269867 binding 0.05351929938371716 stability 0.03795004865390853 activity 0.03081414206941291 strategy 0.030165423289004217 strong 0.027246188777165097 including 0.023029516704508597 mechanism 0.015893610120012974 enhanced 0.013623094388582549 development 0.006487187804086928 effective 0.005514109633473889 therapeutic 0.003243593902043464 design 0.0022705157314304248 experimental 0.0012974375608173856 synthesized 0.0
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