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Application

Discovery Studio 1.0 Materials Studio 0.7765282583621684 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0527391659852821 Amorphous Cell 0.2583810302534751 Blends 0.0012264922322158627 CASTEP 0.2710547833197056 CDOCKER 0.2007358953393295 CHARMm 0.3160261651676206 COMPASS 0.3168438266557645 COMPASS III 0.10629599345870809 COSMObase 0.005314799672935405 COSMOconf 0.006541291905151268 COSMOmic 0.0 COSMOperm 4.088307440719542E-4 COSMOplex 4.088307440719542E-4 COSMOquick 8.176614881439084E-4 COSMOtherm 0.0633687653311529 Catalyst 0.08953393295175797 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07236304170073589 DFTB Plus 0.004905968928863451 DMol3 0.1304170073589534 DPD 0.0028618152085036794 Discover 0.003270645952575634 Forcite 0.4885527391659853 GULP 0.015126737530662305 Kinetix 0.0 LUDI 0.003270645952575634 LibDock 0.08053965658217498 LigandFit 0.003679476696647588 MODELER 0.28986099754701555 Mesocite 0.003679476696647588 Mesoscale 0.006132461161079314 Morphology 0.015944399018806215 ONETEP 0.0012264922322158627 Polymorph 0.0024529844644317253 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.39697465249386754 Reflex 0.051921504497138185 Reflex Plus 8.176614881439084E-4 Semi-empirical 0.005723630417007359 Sorption 0.05723630417007359 Synthia 0.0012264922322158627 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7992641046606704 X-Cell 8.176614881439084E-4 ZDOCK 0.03107113654946852

Year

2024 0.28717620722737447 2025 1.0 2026 0.8273105212663895 2027 0.0

Keywords

target 1.0 potential 0.3337236533957845 docking 0.27049180327868855 analysis 0.23965651834504292 visualization 0.19808743169398907 between 0.1290007806401249 promising 0.09855581576893052 binding 0.09679937548790007 novel 0.09582357533177205 activity 0.06674473067915691 cell 0.05152224824355972 energy 0.050156128024980484 stability 0.039227166276346606 including 0.030249804839968773 synthesized 0.018930523028883685 strong 0.016588602654176426 effective 0.015417642466822794 development 0.01483216237314598 therapeutic 0.01405152224824356 protein 0.01288056206088993 performance 0.011514441842310695 mechanism 0.00819672131147541 interaction 0.00585480093676815 strategy 0.001756440281030445 enhanced 0.0
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