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Application

Discovery Studio 0.9703138252756573 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06273062730627306 Amorphous Cell 0.28219996485679144 Blends 0.0017571604287471446 CASTEP 0.3415919873484449 CDOCKER 0.16306448778773502 CHARMm 0.2637497803549464 COMPASS 0.3451063082059392 COMPASS III 0.10191530486733438 COSMObase 0.004392901071867862 COSMOconf 0.005798629414865577 COSMOmic 0.0 COSMOperm 5.271481286241434E-4 COSMOplex 1.7571604287471446E-4 COSMOquick 0.0014057283429977157 COSMOtherm 0.0644877877350202 Catalyst 0.08293797223686522 Classical Simulations 1.0 Conformers 3.514320857494289E-4 Crystallization 0.0716921454928835 DFTB Plus 0.004041468986118433 DMol3 0.15304867334387628 DPD 0.002284308557371288 Discover 0.0036900369003690036 Forcite 0.5317167457388859 GULP 0.019153048673343876 Kinetix 1.7571604287471446E-4 LUDI 0.0036900369003690036 LibDock 0.07011070110701106 LigandFit 0.004041468986118433 MCSS 5.271481286241434E-4 MODELER 0.2502196450535934 MesoDyn 7.028641714988579E-4 Mesocite 0.0033386048146195747 Mesoscale 0.005974345457740292 Modules 0.0 Morphology 0.015990159901599015 ONETEP 7.028641714988579E-4 Polymorph 0.0015814443858724301 QMERA 1.7571604287471446E-4 QSAR 5.271481286241434E-4 Quantum Mechanics 0.4851519943770866 Reflex 0.05271481286241434 Reflex Plus 0.0010542962572482868 Semi-empirical 0.005622913371990863 Sorption 0.05517483746266034 Synthia 0.0010542962572482868 TURBOMOLE 1.7571604287471446E-4 VAMP 0.0010542962572482868 Visualization 0.7063784923563521 X-Cell 0.0015814443858724301 ZDOCK 0.0291688631172026

Year

2023 0.00430435990002777 2024 0.49611219105803944 2025 1.0 2026 0.5891419050263815 2027 0.0

Keywords

target 1.0 potential 0.29864480508616364 docking 0.2149071440522001 analysis 0.21105905972896102 visualization 0.1646310858290112 between 0.149071440522001 novel 0.09461268194746528 energy 0.07972226869667057 promising 0.07846745859126653 binding 0.07110590597289611 cell 0.06257319725614857 activity 0.04534047180859963 stability 0.0411577714572528 performance 0.03923372929563326 including 0.02133177179186883 effective 0.01698176342646813 experimental 0.01698176342646813 synthesized 0.01664714739836038 development 0.014890413250794713 mechanism 0.014639451229713904 interaction 0.014053873180525348 enhanced 0.008950978751882215 protein 0.004350008365400703 strong 0.0025096202108080977 design 0.0
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