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Application

Discovery Studio 1.0 Materials Studio 0.9086345381526104 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0619040411684577 Amorphous Cell 0.27183290449523234 Blends 0.002270319358256395 CASTEP 0.3538671106402301 CDOCKER 0.180112002421674 CHARMm 0.28257908279097926 COMPASS 0.3416073861056455 COMPASS III 0.09383986680793098 COSMObase 0.0039352202209777505 COSMOconf 0.005600121083699107 COSMOmic 1.5135462388375965E-4 COSMOperm 0.0013621916149538368 COSMOplex 1.5135462388375965E-4 COSMOquick 0.0015135462388375966 COSMOtherm 0.06356894203117905 Catalyst 0.11154835780233086 Classical Simulations 1.0 Conformers 4.540638716512789E-4 Crystallization 0.07007719085818072 DFTB Plus 0.005297411835931588 DMol3 0.15771151808687756 DPD 0.0024216739821401544 Discover 0.0031784471015589527 Forcite 0.5221734523989708 GULP 0.020432874224307552 Kinetix 3.027092477675193E-4 LUDI 0.003481156349326472 LibDock 0.07552595731799606 LigandFit 0.004691993340396549 MCSS 4.540638716512789E-4 MODELER 0.24428636294838807 MesoDyn 7.567731194187983E-4 Mesocite 0.0024216739821401544 Mesoscale 0.005297411835931588 Modules 0.0 Morphology 0.016649008627213562 ONETEP 9.081277433025579E-4 Polymorph 0.0018162554866051157 QMERA 0.0 QSAR 7.567731194187983E-4 Quantum Mechanics 0.501891932798547 Reflex 0.05055244437717572 Reflex Plus 0.0012108369910700772 Semi-empirical 0.0066596034508854245 Sorption 0.05539579234145603 Synthia 0.0015135462388375966 TURBOMOLE 3.027092477675193E-4 VAMP 0.0010594823671863176 Visualization 0.8135311033752081 X-Cell 0.0013621916149538368 ZDOCK 0.030724988648403208

Year

2023 0.1438584779706275 2024 0.5123497997329773 2025 1.0 2026 0.38896306186025814 2027 0.0

Keywords

target 1.0 potential 0.28432479919678716 docking 0.2219503012048193 analysis 0.19264558232931728 visualization 0.18404869477911648 between 0.1402484939759036 novel 0.09958584337349398 binding 0.078125 energy 0.07084588353413655 promising 0.07072038152610442 activity 0.0572289156626506 cell 0.0563504016064257 stability 0.03369728915662651 interaction 0.02710843373493976 synthesized 0.02641817269076305 performance 0.024661144578313254 development 0.020958835341365462 effective 0.01989206827309237 including 0.01989206827309237 protein 0.01945281124497992 experimental 0.01637801204819277 mechanism 0.015876004016064257 synthesis 0.011420682730923695 design 6.902610441767068E-4 enhanced 0.0
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