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Application

Discovery Studio 1.0 Materials Studio 0.012807549713515335 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.006779661016949152 Amorphous Cell 0.0039548022598870055 CASTEP 0.003389830508474576 CDOCKER 0.11468926553672316 CHARMm 0.31468926553672316 COMPASS 0.00847457627118644 COMPASS III 0.002824858757062147 COSMOconf 0.0 COSMOperm 0.0011299435028248588 COSMOquick 0.0 COSMOtherm 0.011864406779661017 Catalyst 0.18022598870056497 Classical Simulations 0.33954802259887007 Crystallization 0.0 DFTB Plus 0.0 DMol3 0.0062146892655367235 Forcite 0.01751412429378531 Kinetix 0.0 LUDI 0.007909604519774011 LibDock 0.03446327683615819 LigandFit 0.00847457627118644 MCSS 5.649717514124294E-4 MODELER 0.21525423728813559 Polymorph 0.0 QSAR 5.649717514124294E-4 Quantum Mechanics 0.010169491525423728 Semi-empirical 5.649717514124294E-4 Sorption 5.649717514124294E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 1.0 ZDOCK 0.014689265536723164

Year

2022 0.0 2023 0.6390008058017728 2024 1.0 2025 0.7864625302175665 2026 0.0016116035455278

Keywords

silico 1.0 target 0.9643002028397566 docking 0.6454361054766734 potential 0.5253549695740365 visualization 0.4746450304259635 analysis 0.32129817444219066 vitro 0.3010141987829615 binding 0.24908722109533468 activity 0.18377281947261664 protein 0.12251521298174442 drug 0.10912778904665314 novel 0.10344827586206896 promising 0.0896551724137931 inhibition 0.08762677484787018 compound 0.08154158215010142 therapeutic 0.04016227180527383 synthesis 0.03286004056795132 synthesized 0.03204868154158215 potent 0.018255578093306288 interaction 0.00973630831643002 including 0.0032454361054766734 between 0.0016227180527383367 binding affinity 0.0012170385395537525 treatment 0.0012170385395537525 stability 0.0
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