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Application

Discovery Studio 0.9987900786448881 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05879470847623714 Amorphous Cell 0.2775600195982362 Blends 0.002204801567858893 CASTEP 0.32459578637922587 CDOCKER 0.17099461048505635 CHARMm 0.27070063694267515 COMPASS 0.3385595296423322 COMPASS III 0.10950514453699167 COSMObase 0.0046545810877021065 COSMOconf 0.005634492895639392 COSMOmic 0.0 COSMOperm 4.899559039686428E-4 COSMOplex 2.449779519843214E-4 COSMOquick 7.349338559529642E-4 COSMOtherm 0.06467417932386085 Catalyst 0.0788829005389515 Classical Simulations 1.0 Conformers 4.899559039686428E-4 Crystallization 0.07300342969132778 DFTB Plus 0.0039196472317491425 DMol3 0.14698677119059284 DPD 0.0026947574718275357 Discover 0.0036746692797648213 Forcite 0.5220480156785889 GULP 0.0171484566389025 Kinetix 2.449779519843214E-4 LUDI 0.0036746692797648213 LibDock 0.07079862812346889 LigandFit 0.0039196472317491425 MODELER 0.25208231259186675 MesoDyn 0.0 Mesocite 0.0034296913277804997 Mesoscale 0.005879470847623714 Modules 0.0 Morphology 0.016413522782949535 ONETEP 9.799118079372856E-4 Polymorph 0.002204801567858893 QMERA 2.449779519843214E-4 QSAR 2.449779519843214E-4 Quantum Mechanics 0.4634982851543361 Reflex 0.05291523762861342 Reflex Plus 9.799118079372856E-4 Semi-empirical 0.005389514943655071 Sorption 0.058549730524252816 Synthia 0.001224889759921607 TURBOMOLE 0.0 VAMP 7.349338559529642E-4 Visualization 0.6979421852033317 X-Cell 0.001224889759921607 ZDOCK 0.028417442430181284

Year

2023 0.0 2024 0.33601097178683387 2025 1.0 2026 0.7676332288401254 2027 0.001959247648902821

Keywords

target 1.0 potential 0.30941162256856347 docking 0.22290685030808263 analysis 0.22012806572429625 visualization 0.16406910716443154 between 0.13966412951552495 novel 0.09254560831219041 promising 0.0884378397970279 energy 0.07321493294671982 binding 0.07297329950465144 cell 0.061374894285369096 activity 0.049655672345052554 stability 0.04276911924610366 performance 0.040473601546454026 including 0.021988643228222787 synthesized 0.016310257339615802 effective 0.016189440618581612 development 0.015222906850308082 enhanced 0.012564938987555879 strong 0.012564938987555879 experimental 0.011840038661350732 mechanism 0.010873504893077202 interaction 0.006040836051709557 strategy 4.8326688413676455E-4 protein 0.0
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