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Application

Discovery Studio 1.0 Materials Studio 0.9026933101650738 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.057622377622377624 Amorphous Cell 0.27076923076923076 Blends 0.0016783216783216783 CASTEP 0.3032167832167832 CDOCKER 0.18097902097902097 CHARMm 0.29202797202797204 COMPASS 0.33090909090909093 COMPASS III 0.1020979020979021 COSMObase 0.005314685314685315 COSMOconf 0.005874125874125874 COSMOmic 0.0 COSMOperm 5.594405594405594E-4 COSMOplex 2.797202797202797E-4 COSMOquick 8.391608391608392E-4 COSMOtherm 0.0620979020979021 Catalyst 0.08195804195804196 Classical Simulations 1.0 Conformers 2.797202797202797E-4 Crystallization 0.07048951048951049 DFTB Plus 0.002797202797202797 DMol3 0.14545454545454545 DPD 0.001958041958041958 Discover 0.005314685314685315 Forcite 0.5096503496503496 GULP 0.015944055944055943 Kinetix 0.0 LUDI 0.0044755244755244755 LibDock 0.07356643356643357 LigandFit 0.003916083916083916 MCSS 0.0 MODELER 0.273006993006993 MesoDyn 5.594405594405594E-4 Mesocite 0.0033566433566433566 Mesoscale 0.005594405594405594 Morphology 0.016223776223776225 ONETEP 8.391608391608392E-4 Polymorph 0.0022377622377622378 QMERA 2.797202797202797E-4 QSAR 2.797202797202797E-4 Quantum Mechanics 0.44083916083916086 Reflex 0.05090909090909091 Reflex Plus 5.594405594405594E-4 Semi-empirical 0.004195804195804196 Sorption 0.053986013986013985 Synthia 5.594405594405594E-4 TURBOMOLE 0.0 VAMP 5.594405594405594E-4 Visualization 0.7219580419580419 X-Cell 0.0013986013986013986 ZDOCK 0.029650349650349652

Year

2024 0.29429640018700326 2025 1.0 2026 0.9095371669004207 2027 0.0

Keywords

target 1.0 potential 0.32450515751324227 docking 0.2468636743797045 analysis 0.23292444940061333 visualization 0.17326456649010316 between 0.14106495678840256 promising 0.09408976860886535 novel 0.09283523836074714 binding 0.0864231948703652 energy 0.06439921940340117 cell 0.059520490660719266 activity 0.05352662391971007 stability 0.040005575689991635 performance 0.026763311959855034 including 0.024393643713409536 strong 0.01993309172010036 effective 0.015054362977418455 development 0.01379983272930025 synthesized 0.013521048229718427 mechanism 0.008363534987454697 enhanced 0.007248396989127405 protein 0.004599944243100083 interaction 0.0030666294954000556 therapeutic 0.0013939224979091162 experimental 0.0
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