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Application

Discovery Studio 0.8439361906592351 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06246985045827303 Amorphous Cell 0.29088277858176553 Blends 0.002170767004341534 CASTEP 0.33526290400385916 CDOCKER 0.15098890496864448 CHARMm 0.2448142788229619 COMPASS 0.3465991316931983 COMPASS III 0.11119150988904969 COSMObase 0.005306319343945972 COSMOconf 0.006512301013024602 COSMOmic 0.0 COSMOperm 4.82392667631452E-4 COSMOplex 2.41196333815726E-4 COSMOquick 9.64785335262904E-4 COSMOtherm 0.06825856246985046 Catalyst 0.06825856246985046 Classical Simulations 1.0 Conformers 4.82392667631452E-4 Crystallization 0.07452966714905933 DFTB Plus 0.003135552339604438 DMol3 0.1577424023154848 DPD 0.00241196333815726 Discover 0.00482392667631452 Forcite 0.5443801254220936 GULP 0.01808972503617945 Kinetix 2.41196333815726E-4 LUDI 0.00361794500723589 LibDock 0.06150506512301013 LigandFit 0.002894356005788712 MODELER 0.2291365171249397 MesoDyn 7.23589001447178E-4 Mesocite 0.003376748673420164 Mesoscale 0.006271104679208876 Morphology 0.016642547033285094 ONETEP 9.64785335262904E-4 Polymorph 0.002170767004341534 QMERA 2.41196333815726E-4 QSAR 7.23589001447178E-4 Quantum Mechanics 0.4833574529667149 Reflex 0.05426917510853835 Reflex Plus 4.82392667631452E-4 Semi-empirical 0.00482392667631452 Sorption 0.05812831644958997 Synthia 0.00120598166907863 TURBOMOLE 0.0 VAMP 9.64785335262904E-4 Visualization 0.6234925229136518 X-Cell 0.001688374336710082 ZDOCK 0.025084418716835505

Year

2024 0.21362940275650844 2025 1.0 2026 0.7871362940275651 2027 0.0

Keywords

target 1.0 potential 0.2950006202704379 analysis 0.2108919488897159 docking 0.19228383575238805 between 0.1471281478724724 visualization 0.1394367944423769 energy 0.08609353678203696 promising 0.0849770499937973 novel 0.08311623868006451 cell 0.0674854236447091 binding 0.06004217838977794 performance 0.05508001488649051 stability 0.04317082247860067 activity 0.031137575983128645 including 0.019972708100731918 enhanced 0.01910432948765662 strong 0.017119464086341647 experimental 0.016127031385684158 effective 0.014390274159533556 mechanism 0.00893189430591738 synthesized 0.00893189430591738 development 0.008063515692842079 strategy 0.005334325766033991 design 0.002853244014390274 interaction 0.0
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