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Application

Discovery Studio 1.0 Materials Studio 0.8208573256557902 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.051524259338772006 Amorphous Cell 0.26019750966079863 Blends 0.0021468441391155 CASTEP 0.2666380420781451 CDOCKER 0.1893516530699871 CHARMm 0.30313439244310864 COMPASS 0.3233147273507943 COMPASS III 0.10991841992271362 COSMObase 0.0038643194504079004 COSMOconf 0.006440532417346501 COSMOmic 0.0 COSMOperm 4.2936882782310007E-4 COSMOplex 4.2936882782310007E-4 COSMOtherm 0.06011163589523401 Catalyst 0.08200944611421211 Classical Simulations 1.0 Conformers 4.2936882782310007E-4 Crystallization 0.06998711893516531 DFTB Plus 0.0030055817947617003 DMol3 0.1253756977243452 DPD 0.0012881064834693002 Discover 0.0030055817947617003 Forcite 0.49806784027479606 GULP 0.012881064834693002 Kinetix 0.0 LUDI 0.0034349506225848005 LibDock 0.07771575783598111 LigandFit 0.0034349506225848005 MODELER 0.2820953198797767 Mesocite 0.0038643194504079004 Mesoscale 0.0047230571060541005 Morphology 0.015457277801631602 ONETEP 8.587376556462001E-4 Polymorph 0.0021468441391155 QMERA 0.0 Quantum Mechanics 0.38686131386861317 Reflex 0.051094890510948905 Reflex Plus 0.0 Semi-empirical 0.004293688278231 Sorption 0.05753542292829541 Synthia 8.587376556462001E-4 TURBOMOLE 0.0 VAMP 4.2936882782310007E-4 Visualization 0.7436668097896093 X-Cell 0.0012881064834693002 ZDOCK 0.0322026620867325

Year

2024 0.02849002849002849 2025 1.0 2026 0.9025007913896803 2027 0.0

Keywords

target 1.0 potential 0.3467424573677306 docking 0.26125929164844774 analysis 0.2374289462177525 visualization 0.1825535636204635 between 0.12505465675557498 promising 0.09816353301268037 novel 0.09466550065588107 binding 0.0940096195889812 activity 0.057061652820288584 cell 0.04875382597289025 energy 0.04525579361609095 stability 0.03782247485789243 strong 0.031482291211193704 including 0.029951902055094008 performance 0.019020550940096196 therapeutic 0.016178399650196764 development 0.015959772627896808 effective 0.01289899431569742 mechanism 0.00765194578049847 protein 0.005247048535198951 synthesized 0.0034980323567993005 enhanced 0.002404897245299519 strategy 0.0013117621337997377 interaction 0.0
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