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Application

Discovery Studio 1.0 Materials Studio 0.8273381294964028 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05443548387096774 Amorphous Cell 0.2614247311827957 Blends 0.0020161290322580645 CASTEP 0.2842741935483871 CDOCKER 0.19119623655913978 CHARMm 0.30544354838709675 COMPASS 0.3219086021505376 COMPASS III 0.1051747311827957 COSMObase 0.004704301075268817 COSMOconf 0.005376344086021506 COSMOmic 0.0 COSMOperm 6.720430107526882E-4 COSMOplex 3.360215053763441E-4 COSMOquick 3.360215053763441E-4 COSMOtherm 0.059475806451612906 Catalyst 0.08568548387096774 Classical Simulations 1.0 Conformers 3.360215053763441E-4 Crystallization 0.0715725806451613 DFTB Plus 0.0030241935483870967 DMol3 0.13172043010752688 DPD 0.0016801075268817205 Discover 0.004032258064516129 Forcite 0.49731182795698925 GULP 0.014448924731182795 Kinetix 0.0 LUDI 0.004368279569892473 LibDock 0.07795698924731183 LigandFit 0.004032258064516129 MODELER 0.28763440860215056 Mesocite 0.003360215053763441 Mesoscale 0.004704301075268817 Morphology 0.016129032258064516 ONETEP 6.720430107526882E-4 Polymorph 0.002688172043010753 QMERA 3.360215053763441E-4 Quantum Mechanics 0.4099462365591398 Reflex 0.05141129032258065 Reflex Plus 6.720430107526882E-4 Semi-empirical 0.004368279569892473 Sorption 0.057459677419354836 Synthia 6.720430107526882E-4 TURBOMOLE 0.0 VAMP 3.360215053763441E-4 Visualization 0.7436155913978495 X-Cell 0.0013440860215053765 ZDOCK 0.030913978494623656

Year

2024 0.20016362148895556 2025 1.0 2026 0.9520043632397055 2027 0.0

Keywords

target 1.0 potential 0.34183673469387754 docking 0.26292517006802724 analysis 0.24217687074829933 visualization 0.1812925170068027 between 0.13095238095238096 promising 0.09642857142857143 novel 0.09438775510204081 binding 0.09047619047619047 activity 0.05901360544217687 cell 0.05357142857142857 energy 0.05136054421768708 stability 0.03537414965986395 including 0.02568027210884354 strong 0.023299319727891156 performance 0.015476190476190477 development 0.013775510204081633 effective 0.01292517006802721 synthesized 0.011394557823129252 protein 0.008333333333333333 enhanced 0.0066326530612244895 therapeutic 0.005782312925170068 mechanism 0.004081632653061225 interaction 1.7006802721088434E-4 strategy 0.0
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