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Application

Discovery Studio 0.881951415378438 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06320541760722348 Amorphous Cell 0.2871833458740908 Blends 0.0017557060446450965 CASTEP 0.3358414848256835 CDOCKER 0.15625783797341358 CHARMm 0.24604966139954854 COMPASS 0.3476297968397291 COMPASS III 0.109104589917231 COSMObase 0.005267118133935289 COSMOconf 0.007022824178580386 COSMOmic 0.0 COSMOperm 5.016302984700275E-4 COSMOplex 2.5081514923501377E-4 COSMOquick 7.524454477050414E-4 COSMOtherm 0.06847253574115876 Catalyst 0.07123150238274392 Classical Simulations 1.0 Conformers 5.016302984700275E-4 Crystallization 0.07524454477050414 DFTB Plus 0.003762227238525207 DMol3 0.15224479558565338 DPD 0.00200652119388011 Discover 0.00401304238776022 Forcite 0.5405066466014548 GULP 0.01730624529721595 Kinetix 2.5081514923501377E-4 LUDI 0.004263857536995234 LibDock 0.06471030850263355 LigandFit 0.003762227238525207 MCSS 0.0 MODELER 0.23576624028091298 MesoDyn 0.0 Mesocite 0.0032605969400551793 Mesoscale 0.005267118133935289 Morphology 0.01780787559568598 ONETEP 0.001003260596940055 Polymorph 0.00200652119388011 QMERA 2.5081514923501377E-4 QSAR 5.016302984700275E-4 Quantum Mechanics 0.4805618259342864 Reflex 0.053925257085527964 Reflex Plus 5.016302984700275E-4 Semi-empirical 0.005517933283170303 Sorption 0.06119889641334337 Synthia 0.001003260596940055 TURBOMOLE 2.5081514923501377E-4 VAMP 0.001003260596940055 Visualization 0.6453473789816905 X-Cell 0.0017557060446450965 ZDOCK 0.025583145221971408

Year

2024 0.2322023926260051 2025 1.0 2026 0.7674053736026671 2027 0.0

Keywords

target 1.0 potential 0.3012461851475076 analysis 0.2159206510681587 docking 0.2012970498474059 visualization 0.1472533062054934 between 0.14153102746693794 promising 0.08799593082400814 novel 0.08545269582909461 energy 0.08201932858596134 cell 0.06485249237029501 binding 0.0633265513733469 performance 0.051119023397761955 stability 0.041836215666327566 activity 0.03763987792472025 including 0.02365208545269583 enhanced 0.0189471007121058 strong 0.01780264496439471 experimental 0.017166836215666326 effective 0.015895218718209564 synthesized 0.012589013224821973 mechanism 0.011826042726347914 development 0.01055442522889115 strategy 0.005213631739572736 design 0.003051881993896236 interaction 0.0
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