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Application

Discovery Studio 1.0 Materials Studio 0.12694877505567928 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.028708133971291867 Amorphous Cell 0.009569377990430622 CASTEP 0.14354066985645933 CDOCKER 0.3827751196172249 CHARMm 0.46411483253588515 COMPASS 0.05741626794258373 COMPASS III 0.014354066985645933 COSMOconf 0.0 COSMOtherm 0.004784688995215311 Catalyst 0.215311004784689 Classical Simulations 0.5789473684210527 Crystallization 0.014354066985645933 DMol3 0.004784688995215311 Forcite 0.04784688995215311 LUDI 0.004784688995215311 LibDock 0.1339712918660287 LigandFit 0.004784688995215311 MODELER 0.3014354066985646 Morphology 0.0 Polymorph 0.0 Quantum Mechanics 0.15311004784688995 Reflex 0.004784688995215311 Sorption 0.004784688995215311 Visualization 1.0 X-Cell 0.0 ZDOCK 0.009569377990430622

Year

2024 0.041666666666666664 2025 1.0 2026 0.0

Keywords

compound 1.0 target 0.9576059850374065 docking 0.5785536159600998 potential 0.5112219451371571 analysis 0.26433915211970077 novel 0.256857855361596 visualization 0.24937655860349128 synthesized 0.23940149625935161 binding 0.2119700748129676 synthesis 0.20698254364089774 promising 0.20448877805486285 activity 0.18453865336658354 potent 0.12967581047381546 vitro 0.11471321695760599 inhibition 0.08478802992518704 therapeutic 0.07231920199501247 silico 0.06483790523690773 strong 0.04738154613466334 including 0.0399002493765586 drug 0.03740648379052369 development 0.02493765586034913 protein 0.02493765586034913 treatment 0.00997506234413965 effective 0.0024937655860349127 design 0.0
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