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Application

Discovery Studio 1.0 Materials Studio 0.1539651837524178 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.013693693693693694 Amorphous Cell 0.025945945945945945 CASTEP 0.08612612612612612 CDOCKER 0.2825225225225225 CHARMm 0.338018018018018 COMPASS 0.046486486486486484 COMPASS III 0.013693693693693694 COSMObase 0.001081081081081081 COSMOconf 0.0018018018018018018 COSMOperm 0.0 COSMOtherm 0.02054054054054054 Catalyst 0.169009009009009 Classical Simulations 0.44 Conformers 3.6036036036036037E-4 Crystallization 0.02018018018018018 DMol3 0.10126126126126127 DPD 0.0 Discover 3.6036036036036037E-4 Forcite 0.06918918918918919 GULP 0.002882882882882883 LUDI 0.002882882882882883 LibDock 0.10558558558558559 LigandFit 0.012612612612612612 MCSS 0.001081081081081081 MODELER 0.2796396396396396 Mesocite 3.6036036036036037E-4 Mesoscale 3.6036036036036037E-4 Morphology 0.0018018018018018018 ONETEP 3.6036036036036037E-4 Polymorph 0.0 QMERA 3.6036036036036037E-4 QSAR 3.6036036036036037E-4 Quantum Mechanics 0.18414414414414415 Reflex 0.018018018018018018 Semi-empirical 7.207207207207207E-4 Sorption 0.0036036036036036037 VAMP 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.031711711711711714

Year

2019 0.0 2020 0.14033983637507866 2021 0.18250471994965387 2022 0.2278162366268093 2023 0.6463184392699811 2024 1.0 2025 0.8489616110761485 2026 0.040276903713027064

Keywords

activity 1.0 target 0.9670523632084722 docking 0.4696999411649343 potential 0.3649735242204354 visualization 0.3412433810551088 analysis 0.21023730143165326 novel 0.15728574230241224 binding 0.15002941753284957 vitro 0.1251225730535399 compound 0.09590115708962542 inhibition 0.09099823494802903 synthesis 0.08903706609139046 synthesized 0.08570307903510492 protein 0.08256520886448324 promising 0.07275936458129045 silico 0.07138654638164346 between 0.05765836438517356 potent 0.040007844675426556 active 0.03471268876250245 treatment 0.03059423416356148 drug 0.022357324965679545 development 0.015689350853108453 interaction 0.007844675426554227 enzyme 0.004706805255932536 effective 0.0
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