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Application

Discovery Studio 1.0 Materials Studio 0.7899441340782123 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.051590380139643136 Amorphous Cell 0.2575640031031808 Blends 0.0023273855702094647 CASTEP 0.2761830876648565 CDOCKER 0.1947245927075252 CHARMm 0.31225756400310317 COMPASS 0.31768813033359194 COMPASS III 0.10550814584949574 COSMObase 0.004654771140418929 COSMOconf 0.0058184639255236615 COSMOmic 0.0 COSMOperm 7.757951900698216E-4 COSMOplex 3.878975950349108E-4 COSMOtherm 0.06089992242048099 Catalyst 0.08301008533747091 Classical Simulations 1.0 Conformers 3.878975950349108E-4 Crystallization 0.06904577191621412 DFTB Plus 0.0027152831652443757 DMol3 0.12451512800620636 DPD 0.0011636927851047323 Discover 0.0034910783553141972 Forcite 0.4895267649340574 GULP 0.013576415826221877 Kinetix 0.0 LUDI 0.004654771140418929 LibDock 0.08107059736229635 LigandFit 0.003878975950349108 MODELER 0.2979053529868115 Mesocite 0.003878975950349108 Mesoscale 0.004654771140418929 Morphology 0.015515903801396431 ONETEP 7.757951900698216E-4 Polymorph 0.0023273855702094647 QMERA 0.0 Quantum Mechanics 0.39526764934057407 Reflex 0.05003878975950349 Reflex Plus 0.0 Semi-empirical 0.003878975950349108 Sorption 0.05546935608999224 Synthia 7.757951900698216E-4 TURBOMOLE 0.0 VAMP 3.878975950349108E-4 Visualization 0.7618308766485647 X-Cell 0.0011636927851047323 ZDOCK 0.032971295577967415

Year

2024 0.10518562168532705 2025 1.0 2026 0.9183853859752504 2027 0.0

Keywords

target 1.0 potential 0.351556420233463 docking 0.27120622568093383 analysis 0.2424124513618677 visualization 0.18813229571984436 between 0.1262645914396887 binding 0.10019455252918288 promising 0.09883268482490272 novel 0.09824902723735408 activity 0.06264591439688716 cell 0.04922178988326848 energy 0.04571984435797665 stability 0.040077821011673155 strong 0.03171206225680934 including 0.029377431906614786 development 0.01614785992217899 effective 0.01614785992217899 performance 0.01575875486381323 therapeutic 0.013813229571984435 protein 0.011478599221789884 synthesized 0.007976653696498054 mechanism 0.007003891050583658 enhanced 0.004669260700389105 interaction 0.0038910505836575876 strategy 0.0
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