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Application

Discovery Studio 1.0 Materials Studio 0.8159411011523687 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05228471001757469 Amorphous Cell 0.2627416520210896 Blends 8.787346221441124E-4 CASTEP 0.27372583479789103 CDOCKER 0.19551845342706503 CHARMm 0.30096660808435854 COMPASS 0.3233743409490334 COMPASS III 0.10764499121265378 COSMObase 0.005272407732864675 COSMOconf 0.007029876977152899 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 4.393673110720562E-4 COSMOquick 8.787346221441124E-4 COSMOtherm 0.06502636203866433 Catalyst 0.08963093145869948 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07161687170474516 DFTB Plus 0.0048330404217926184 DMol3 0.13400702987697716 DPD 0.0030755711775043936 Discover 0.0035149384885764497 Forcite 0.4982425307557118 GULP 0.015817223198594025 Kinetix 0.0 LUDI 0.0035149384885764497 LibDock 0.0773286467486819 LigandFit 0.003954305799648506 MODELER 0.28339191564147626 Mesocite 0.0035149384885764497 Mesoscale 0.006151142355008787 Morphology 0.01625659050966608 ONETEP 0.0013181019332161687 Polymorph 0.0021968365553602814 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.4028998242530756 Reflex 0.050966608084358524 Reflex Plus 4.393673110720562E-4 Semi-empirical 0.0057117750439367315 Sorption 0.05711775043936731 Synthia 0.0013181019332161687 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7803163444639719 X-Cell 4.393673110720562E-4 ZDOCK 0.029876977152899824

Year

2024 0.32360360360360363 2025 1.0 2026 0.8745945945945945 2027 0.0

Keywords

target 1.0 potential 0.33050487908358084 docking 0.25965210012728046 analysis 0.23737802291047944 visualization 0.19049639372083157 between 0.12664403903266866 promising 0.09567246499787865 novel 0.09227831989817564 binding 0.08867204072974119 activity 0.0615188799321171 energy 0.05239711497666525 cell 0.050700042426813745 stability 0.03585065761561307 including 0.025243954179041152 synthesized 0.01951633432329232 performance 0.014000848536274925 strong 0.012515910055154858 development 0.01230377598642342 effective 0.011455239711497667 mechanism 0.007636826474331778 protein 0.007424692405600339 therapeutic 0.005939753924480272 interaction 0.001484938481120068 strategy 4.2426813746287653E-4 synthesis 0.0
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