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Application

Discovery Studio 0.9750793464205948 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06330615270570793 Amorphous Cell 0.28035581912527796 Blends 0.002223869532987398 CASTEP 0.3574499629355078 CDOCKER 0.1647146034099333 CHARMm 0.26523350630096365 COMPASS 0.34603409933283913 COMPASS III 0.09532987398072647 COSMObase 0.004299481097108969 COSMOconf 0.005337286879169755 COSMOmic 0.0 COSMOperm 5.930318754633062E-4 COSMOplex 1.4825796886582654E-4 COSMOquick 0.0014825796886582653 COSMOtherm 0.06419570051890289 Cantera 0.0 Catalyst 0.09636767976278725 Classical Simulations 1.0 Conformers 7.412898443291327E-4 Crystallization 0.07131208302446257 DFTB Plus 0.004595997034840623 DMol3 0.15952557449962934 DPD 0.002223869532987398 Discover 0.003558191252779837 Forcite 0.5318013343217198 GULP 0.01927353595255745 Kinetix 1.4825796886582654E-4 LUDI 0.003558191252779837 LibDock 0.06893995552260934 LigandFit 0.004002965159377317 MCSS 5.930318754633062E-4 MODELER 0.23039288361749444 MesoDyn 5.930318754633062E-4 Mesocite 0.0034099332839140103 Mesoscale 0.005782060785767235 Modules 0.0 Morphology 0.01586360266864344 ONETEP 0.0010378057820607859 Polymorph 0.001927353595255745 QMERA 1.4825796886582654E-4 QSAR 7.412898443291327E-4 Quantum Mechanics 0.5073387694588584 Reflex 0.052335063009636765 Reflex Plus 8.895478131949593E-4 Semi-empirical 0.006226834692364715 Sorption 0.05618977020014826 Synthia 8.895478131949593E-4 TURBOMOLE 4.4477390659747963E-4 VAMP 0.0011860637509266123 Visualization 0.7405485544848036 X-Cell 0.0016308376575240918 ZDOCK 0.027131208302446256

Year

2023 0.10519717346706177 2024 0.4761796216093002 2025 1.0 2026 0.48392979256895374 2027 0.0

Keywords

target 1.0 potential 0.294853195164076 docking 0.21796200345423145 analysis 0.20677029360967183 visualization 0.1765112262521589 between 0.15032815198618307 novel 0.09747841105354059 energy 0.08 promising 0.07329879101899828 binding 0.06915371329879103 cell 0.060863557858376514 activity 0.0475993091537133 stability 0.04013816925734024 performance 0.03592400690846287 experimental 0.021001727115716753 synthesized 0.02072538860103627 including 0.020449050086355787 interaction 0.01844559585492228 effective 0.016649395509499135 mechanism 0.015129533678756477 development 0.014300518134715026 protein 0.008359240069084629 enhanced 0.0049050086355785835 synthesis 0.0017271157167530224 design 0.0
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