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Application

Discovery Studio 1.0 Materials Studio 0.6489252814738997 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08921330089213302 Amorphous Cell 0.12246553122465531 Blends 8.110300081103001E-4 CASTEP 0.26763990267639903 CDOCKER 0.19140308191403083 CHARMm 0.27656123276561234 COMPASS 0.23763179237631793 COMPASS III 0.047039740470397405 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 8.110300081103001E-4 COSMOquick 0.0 COSMOtherm 0.025141930251419302 Catalyst 0.2781832927818329 Classical Simulations 0.7964314679643146 Crystallization 0.10867802108678021 DFTB Plus 0.0 DMol3 0.11759935117599352 DPD 0.0 Forcite 0.35928629359286296 GULP 0.010543390105433901 LUDI 0.0032441200324412004 LibDock 0.062449310624493104 LigandFit 8.110300081103001E-4 MCSS 8.110300081103001E-4 MODELER 0.12003244120032441 Mesocite 8.110300081103001E-4 Mesoscale 0.0016220600162206002 Morphology 0.015409570154095702 QSAR 8.110300081103001E-4 Quantum Mechanics 0.3844282238442822 Reflex 0.09164639091646391 Reflex Plus 0.0016220600162206002 Semi-empirical 0.0 Sorption 0.038118410381184104 TURBOMOLE 0.0 Visualization 1.0 X-Cell 0.0040551500405515 ZDOCK 0.0040551500405515

Year

2023 0.2641509433962264 2024 0.6138814016172507 2025 1.0 2026 0.3578167115902965 2027 0.0

Keywords

synthesized 1.0 target 0.9479129504102747 docking 0.3674634320371031 synthesis 0.3496254013556903 potential 0.30217623974313235 novel 0.2800570816981805 visualization 0.2547270781305744 compound 0.17945058865501248 analysis 0.163396361041741 activity 0.14270424545130217 promising 0.12058508740635034 binding 0.10524438102033536 between 0.06992508027113807 design 0.06849803781662504 potent 0.06278986799857296 vitro 0.06278986799857296 inhibition 0.05886550124866215 designed 0.048876204067070994 silico 0.029967891544773455 effective 0.02104887620406707 cell 0.016767748840528007 experimental 0.015340706386014985 development 0.006064930431680342 drug 0.003210845522654299 active 0.0
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