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Application

Discovery Studio 1.0 Materials Studio 0.1955128205128205 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.028289473684210528 Amorphous Cell 0.1 Blends 0.0 CASTEP 0.08552631578947369 CDOCKER 0.2835526315789474 CHARMm 0.4486842105263158 COMPASS 0.13223684210526315 COMPASS III 0.03223684210526316 COSMObase 0.0013157894736842105 COSMOconf 0.002631578947368421 COSMOquick 0.0 COSMOtherm 0.02368421052631579 Catalyst 0.12631578947368421 Classical Simulations 0.7256578947368421 Conformers 0.0 Crystallization 0.031578947368421054 DFTB Plus 0.0013157894736842105 DMol3 0.04013157894736842 DPD 0.002631578947368421 Discover 0.002631578947368421 Forcite 0.20592105263157895 GULP 0.006578947368421052 LUDI 0.004605263157894736 LibDock 0.11644736842105263 LigandFit 0.005263157894736842 MODELER 0.425 Mesoscale 0.002631578947368421 Morphology 0.007236842105263158 Polymorph 0.0 QSAR 6.578947368421052E-4 Quantum Mechanics 0.12368421052631579 Reflex 0.02236842105263158 Reflex Plus 6.578947368421052E-4 Semi-empirical 0.001973684210526316 Sorption 0.018421052631578946 VAMP 0.0 Visualization 1.0 X-Cell 6.578947368421052E-4 ZDOCK 0.04736842105263158

Year

2025 0.0

Keywords

target 1.0 docking 0.44846705805609915 potential 0.43476842791911285 visualization 0.2883235485975212 analysis 0.28440965427266796 binding 0.18819308545335942 novel 0.12491846053489888 activity 0.12459230267449445 promising 0.1131767775603392 therapeutic 0.08708414872798434 protein 0.07599478147423352 between 0.07501630789302022 silico 0.05251141552511415 including 0.046314416177429873 vitro 0.04142204827136334 inhibition 0.03979125896934116 compound 0.02609262883235486 synthesis 0.023483365949119372 development 0.01989562948467058 strong 0.01598173515981735 stability 0.013372472276581865 treatment 0.012393998695368558 interaction 0.007827788649706457 synthesized 0.0032615786040443573 drug 0.0
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