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Application

Discovery Studio 0.9831688914683692 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.055153395380903136 Amorphous Cell 0.276456394346777 Blends 0.002068252326783868 CASTEP 0.3023095484315753 CDOCKER 0.166839021027232 CHARMm 0.26990692864529475 COMPASS 0.3398827990348156 COMPASS III 0.11134091692519821 COSMObase 0.005170630816959669 COSMOconf 0.0062047569803516025 COSMOmic 0.0 COSMOperm 3.447087211306446E-4 COSMOplex 3.447087211306446E-4 COSMOquick 6.894174422612892E-4 COSMOtherm 0.06308169596690796 Catalyst 0.06963116166839022 Classical Simulations 1.0 Conformers 3.447087211306446E-4 Crystallization 0.07100999655291279 DFTB Plus 0.003447087211306446 DMol3 0.14305411926921752 DPD 0.001723543605653223 Discover 0.004825922095829024 Forcite 0.5232678386763185 GULP 0.017580144777662874 Kinetix 0.0 LUDI 0.0031023784901758012 LibDock 0.0703205791106515 LigandFit 0.003447087211306446 MODELER 0.2481902792140641 MesoDyn 6.894174422612892E-4 Mesocite 0.004136504653567736 Mesoscale 0.0062047569803516025 Morphology 0.015167183729748363 ONETEP 6.894174422612892E-4 Polymorph 0.0031023784901758012 QMERA 0.0 QSAR 3.447087211306446E-4 Quantum Mechanics 0.43778007583591866 Reflex 0.05170630816959669 Reflex Plus 3.447087211306446E-4 Semi-empirical 0.0044812133746983795 Sorption 0.058255773871078935 Synthia 0.001034126163391934 TURBOMOLE 0.0 VAMP 3.447087211306446E-4 Visualization 0.6690796277145812 X-Cell 0.001034126163391934 ZDOCK 0.02930024129610479

Year

2024 0.11235640235360045 2025 1.0 2026 0.9554497057999439 2027 0.0

Keywords

target 1.0 potential 0.32078178232024385 analysis 0.2246727631343016 docking 0.22305899228976153 visualization 0.1604805450959297 between 0.1396808319885243 promising 0.0979020979020979 novel 0.09252286175363099 binding 0.07351622736238121 energy 0.07226107226107226 cell 0.062399139322216246 activity 0.046261430876815494 stability 0.04213734982965752 performance 0.039627039627039624 strong 0.029585798816568046 including 0.028151335843643537 effective 0.01685493993186301 enhanced 0.01595840057378519 development 0.015779092702169626 mechanism 0.009503317195624889 strategy 0.007530930607853685 synthesized 0.007530930607853685 therapeutic 0.0014344629729245114 experimental 0.0010758472296933835 interaction 0.0
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