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Application

Discovery Studio 0.9673809198853556 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.061999659342531085 Amorphous Cell 0.2835973428717425 Blends 0.002043944813490036 CASTEP 0.343382728666326 CDOCKER 0.16402657128257536 CHARMm 0.26026230625106456 COMPASS 0.34661897462101854 COMPASS III 0.10202691194004429 COSMObase 0.004598875830352581 COSMOconf 0.0057911769715551014 COSMOmic 0.0 COSMOperm 3.4065746891500596E-4 COSMOplex 1.7032873445750298E-4 COSMOquick 0.0011923011412025208 COSMOtherm 0.06472491909385113 Catalyst 0.08533469596320899 Classical Simulations 1.0 Conformers 3.4065746891500596E-4 Crystallization 0.07068642479986374 DFTB Plus 0.004598875830352581 DMol3 0.1553398058252427 DPD 0.0018736160790325327 Discover 0.00340657468915006 Forcite 0.5336399250553568 GULP 0.019758133197070347 Kinetix 1.7032873445750298E-4 LUDI 0.0035769034236075624 LibDock 0.07000510986203373 LigandFit 0.0037472321580650655 MCSS 5.10986203372509E-4 MODELER 0.25004258218361436 MesoDyn 6.813149378300119E-4 Mesocite 0.0028955884857775507 Mesoscale 0.005280190768182593 Modules 0.0 Morphology 0.01652188724237779 ONETEP 8.51643672287515E-4 Polymorph 0.002043944813490036 QMERA 1.7032873445750298E-4 QSAR 6.813149378300119E-4 Quantum Mechanics 0.4895247828308636 Reflex 0.05092829160279339 Reflex Plus 6.813149378300119E-4 Semi-empirical 0.0061318344404701075 Sorption 0.0570601260432635 Synthia 0.001021972406745018 TURBOMOLE 3.4065746891500596E-4 VAMP 0.001021972406745018 Visualization 0.71214443876682 X-Cell 0.0015329586101175269 ZDOCK 0.0286152273888605

Year

2023 0.002407704654895666 2024 0.5111021936864634 2025 1.0 2026 0.5679507758159443 2027 0.0

Keywords

target 1.0 potential 0.29892178950756354 docking 0.21338912133891214 analysis 0.2109752172513679 visualization 0.16607660122304474 between 0.14974251689732862 novel 0.09615384615384616 energy 0.0814290312198262 promising 0.07837141937560348 binding 0.07024460894753781 cell 0.06276150627615062 activity 0.04674927582877374 performance 0.04079497907949791 stability 0.03926617315738655 including 0.021644673318313486 effective 0.017943353717412295 experimental 0.017943353717412295 synthesized 0.017380109430318636 mechanism 0.01544898616028323 development 0.015127132281943997 interaction 0.014242034116511103 enhanced 0.0085291277759897 protein 0.004747344705503701 strong 0.0032185387833923397 design 0.0
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