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Application

Discovery Studio 0.983961279301509 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06446483180428135 Amorphous Cell 0.27889908256880735 Blends 0.0023241590214067276 CASTEP 0.3761467889908257 CDOCKER 0.1635474006116208 CHARMm 0.2598165137614679 COMPASS 0.3515596330275229 COMPASS III 0.09174311926605505 COSMObase 0.004036697247706422 COSMOconf 0.004892966360856269 COSMOmic 1.2232415902140674E-4 COSMOperm 0.001345565749235474 COSMOplex 1.2232415902140674E-4 COSMOquick 0.0014678899082568807 COSMOtherm 0.06311926605504588 Cantera 0.0 Catalyst 0.10764525993883792 Classical Simulations 1.0 Conformers 7.339449541284404E-4 Crystallization 0.07155963302752294 DFTB Plus 0.005137614678899082 DMol3 0.16795107033639145 DPD 0.0023241590214067276 Discover 0.003669724770642202 Forcite 0.5372477064220184 GULP 0.02214067278287462 Kinetix 2.4464831804281347E-4 LUDI 0.003669724770642202 LibDock 0.06948012232415902 LigandFit 0.004036697247706422 MCSS 4.892966360856269E-4 MODELER 0.21504587155963303 MesoDyn 7.339449541284404E-4 Mesocite 0.0030581039755351682 Mesoscale 0.005749235474006117 Modules 0.0 Morphology 0.016880733944954127 ONETEP 0.0011009174311926607 Polymorph 0.0020795107033639145 QMERA 1.2232415902140674E-4 QSAR 9.785932721712539E-4 Quantum Mechanics 0.5333333333333333 Reflex 0.05186544342507645 Reflex Plus 0.0011009174311926607 Semi-empirical 0.0066055045871559635 Sorption 0.05663608562691132 Synthia 0.0012232415902140672 TURBOMOLE 3.669724770642202E-4 VAMP 0.0011009174311926607 Visualization 0.7871559633027523 X-Cell 0.0014678899082568807 ZDOCK 0.0272782874617737

Year

2022 0.0 2023 0.21693317312136057 2024 0.470098900083187 2025 1.0 2026 0.3937517330622054 2027 9.242998428690267E-4

Keywords

target 1.0 potential 0.29317779743476335 docking 0.22086466165413535 analysis 0.20212295444493586 visualization 0.19134232640424592 between 0.15269792127377266 novel 0.10034276868642193 energy 0.08536045997346307 binding 0.0708204334365325 promising 0.06833259619637329 cell 0.062306501547987614 activity 0.05207872622733304 stability 0.03853383458646616 performance 0.033115877930119414 interaction 0.028416629809818666 synthesized 0.02697921273772667 experimental 0.02382795223352499 including 0.019183989385227775 development 0.01780185758513932 effective 0.01774657231313578 mechanism 0.017636001769128704 protein 0.01238390092879257 synthesis 0.007684652808491818 enhanced 1.1057054400707652E-4 design 0.0
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