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Application

Discovery Studio 1.0 Materials Studio 0.8017218888599008 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.053558590941768514 Amorphous Cell 0.2588066139468009 Blends 0.0017972681524083393 CASTEP 0.2713874910136592 CDOCKER 0.19482386772106397 CHARMm 0.3109273903666427 COMPASS 0.32063263838964773 COMPASS III 0.10675772825305535 COSMObase 0.003953989935298346 COSMOconf 0.005751258087706686 COSMOmic 0.0 COSMOperm 3.594536304816679E-4 COSMOplex 3.594536304816679E-4 COSMOquick 3.594536304816679E-4 COSMOtherm 0.05751258087706686 Catalyst 0.08698777857656362 Classical Simulations 1.0 Conformers 3.594536304816679E-4 Crystallization 0.07117181883537024 DFTB Plus 0.003235082674335011 DMol3 0.13048166786484544 DPD 0.0017972681524083393 Discover 0.0035945363048166786 Forcite 0.4953271028037383 GULP 0.013659237958303379 Kinetix 0.0 LUDI 0.0035945363048166786 LibDock 0.07800143781452193 LigandFit 0.003953989935298346 MODELER 0.2882818116462976 Mesocite 0.003235082674335011 Mesoscale 0.004672897196261682 Morphology 0.015815959741193385 ONETEP 7.189072609633358E-4 Polymorph 0.0025161754133716753 QMERA 3.594536304816679E-4 Quantum Mechanics 0.396117900790798 Reflex 0.0514018691588785 Reflex Plus 7.189072609633358E-4 Semi-empirical 0.004672897196261682 Sorption 0.058231488138030196 Synthia 7.189072609633358E-4 TURBOMOLE 0.0 VAMP 3.594536304816679E-4 Visualization 0.7570093457943925 X-Cell 0.0014378145219266715 ZDOCK 0.0312724658519051

Year

2024 0.17207334273624825 2025 1.0 2026 0.9097320169252469 2027 0.0

Keywords

target 1.0 potential 0.3427128427128427 docking 0.26785714285714285 analysis 0.240981240981241 visualization 0.1865079365079365 between 0.13131313131313133 promising 0.09704184704184704 novel 0.09433621933621934 binding 0.09379509379509379 activity 0.06060606060606061 cell 0.05284992784992785 energy 0.048701298701298704 stability 0.03409090909090909 including 0.0284992784992785 strong 0.022907647907647908 development 0.01443001443001443 performance 0.013888888888888888 effective 0.012085137085137086 synthesized 0.011363636363636364 therapeutic 0.010822510822510822 protein 0.010642135642135642 mechanism 0.007395382395382395 enhanced 0.003246753246753247 interaction 0.002344877344877345 strategy 0.0
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