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Application

Discovery Studio 1.0 Materials Studio 0.4309985096870343 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04911699779249448 Amorphous Cell 0.13079470198675497 Blends 5.518763796909492E-4 CASTEP 0.2996688741721854 CDOCKER 0.23399558498896247 CHARMm 0.39790286975717437 COMPASS 0.18984547461368653 COMPASS III 0.05408388520971302 COSMObase 0.0027593818984547464 COSMOconf 0.004415011037527594 COSMOquick 0.0 COSMOtherm 0.05573951434878587 Catalyst 0.11147902869757174 Classical Simulations 0.8024282560706402 Crystallization 0.0358719646799117 DFTB Plus 0.0011037527593818985 DMol3 0.11920529801324503 DPD 5.518763796909492E-4 Discover 0.0027593818984547464 Forcite 0.27097130242825607 GULP 0.01379690949227373 Kinetix 5.518763796909492E-4 LUDI 0.006070640176600441 LibDock 0.1065121412803532 LigandFit 0.005518763796909493 MCSS 0.0 MODELER 0.3465783664459161 Mesocite 5.518763796909492E-4 Mesoscale 0.0016556291390728477 Morphology 0.008830022075055188 Polymorph 0.0011037527593818985 QMERA 0.0 QSAR 5.518763796909492E-4 Quantum Mechanics 0.41114790286975716 Reflex 0.025386313465783666 Semi-empirical 0.002207505518763797 Sorption 0.03090507726269316 TURBOMOLE 0.0 VAMP 0.0 Visualization 1.0 X-Cell 0.0016556291390728477 ZDOCK 0.03421633554083885

Year

2023 0.0 2024 0.4551959114139693 2025 1.0 2026 0.28722316865417374 2027 3.4071550255536625E-4

Keywords

potential 1.0 target 0.9420529801324503 docking 0.38292336802270577 analysis 0.2965941343424787 visualization 0.22185430463576158 promising 0.14711447492904448 binding 0.1445127719962157 novel 0.1239356669820246 therapeutic 0.09649952696310313 between 0.09484389782403027 activity 0.07970671712393566 protein 0.05227057710501419 including 0.04848628192999054 stability 0.046357615894039736 silico 0.041390728476821195 strong 0.03736991485335856 vitro 0.03571428571428571 development 0.023651844843897825 treatment 0.019631031220435195 inhibition 0.01348155156102176 drug 0.010879848628192999 compound 0.008987701040681173 effective 0.007332071901608325 interaction 0.002838221381267739 energy 0.0
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