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Application

Discovery Studio 1.0 Materials Studio 0.9137371552190373 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.055726495726495726 Amorphous Cell 0.27145299145299145 Blends 0.0020512820512820513 CASTEP 0.30017094017094015 CDOCKER 0.1770940170940171 CHARMm 0.28854700854700854 COMPASS 0.3326495726495726 COMPASS III 0.10393162393162393 COSMObase 0.004786324786324786 COSMOconf 0.006837606837606838 COSMOmic 0.0 COSMOperm 6.837606837606838E-4 COSMOplex 3.418803418803419E-4 COSMOquick 0.0 COSMOtherm 0.06427350427350427 Catalyst 0.08034188034188035 Classical Simulations 1.0 Conformers 3.418803418803419E-4 Crystallization 0.07213675213675214 DFTB Plus 0.002735042735042735 DMol3 0.13982905982905983 DPD 0.0013675213675213675 Discover 0.005128205128205128 Forcite 0.5100854700854701 GULP 0.015042735042735043 Kinetix 0.0 LUDI 0.0044444444444444444 LibDock 0.07452991452991453 LigandFit 0.0037606837606837607 MCSS 0.0 MODELER 0.2694017094017094 MesoDyn 6.837606837606838E-4 Mesocite 0.003418803418803419 Mesoscale 0.00547008547008547 Morphology 0.016752136752136753 ONETEP 6.837606837606838E-4 Polymorph 0.0020512820512820513 QMERA 0.0 QSAR 3.418803418803419E-4 Quantum Mechanics 0.4324786324786325 Reflex 0.052307692307692305 Reflex Plus 0.0 Semi-empirical 0.0037606837606837607 Sorption 0.054017094017094015 Synthia 6.837606837606838E-4 TURBOMOLE 0.0 VAMP 3.418803418803419E-4 Visualization 0.7076923076923077 X-Cell 0.0013675213675213675 ZDOCK 0.031452991452991456

Year

2024 0.1951968723820162 2025 1.0 2026 0.9371683887182352 2027 0.0

Keywords

target 1.0 potential 0.3250214961306965 docking 0.24333619948409285 analysis 0.22717110920034395 visualization 0.16818572656921754 between 0.13688736027515047 novel 0.09647463456577816 promising 0.09544282029234738 binding 0.08546861564918315 energy 0.06070507308684437 cell 0.057265692175408424 activity 0.05348237317282889 stability 0.041616509028374896 performance 0.029922613929492692 strong 0.02476354256233878 including 0.023387790197764404 development 0.016852966466036113 effective 0.014961306964746346 mechanism 0.00997420464316423 enhanced 0.009458297506448839 synthesized 0.008082545141874462 therapeutic 0.005674978503869304 strategy 0.0013757523645743766 interaction 0.0012037833190025795 protein 0.0
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