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Application

Discovery Studio 1.0 Materials Studio 0.9984500493166126 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0644150417827298 Amorphous Cell 0.27959610027855153 Blends 0.0020891364902506965 CASTEP 0.33948467966573814 CDOCKER 0.1653899721448468 CHARMm 0.27123955431754876 COMPASS 0.3427924791086351 COMPASS III 0.09644846796657382 COSMObase 0.004352367688022284 COSMOconf 0.00504874651810585 COSMOmic 0.0 COSMOperm 6.963788300835655E-4 COSMOplex 1.7409470752089137E-4 COSMOquick 0.0015668523676880223 COSMOtherm 0.0644150417827298 Catalyst 0.09157381615598886 Classical Simulations 1.0 Conformers 3.4818941504178273E-4 Crystallization 0.07016016713091922 DFTB Plus 0.004004178272980502 DMol3 0.157033426183844 DPD 0.002263231197771588 Discover 0.00383008356545961 Forcite 0.5275069637883009 GULP 0.01793175487465181 Kinetix 1.7409470752089137E-4 LUDI 0.0036559888579387185 LibDock 0.06928969359331476 LigandFit 0.004178272980501393 MCSS 5.222841225626741E-4 MODELER 0.241991643454039 MesoDyn 5.222841225626741E-4 Mesocite 0.003481894150417827 Mesoscale 0.005919220055710306 Modules 0.0 Morphology 0.016016713091922007 ONETEP 8.704735376044568E-4 Polymorph 0.001915041782729805 QMERA 1.7409470752089137E-4 QSAR 6.963788300835655E-4 Quantum Mechanics 0.48659470752089135 Reflex 0.05083565459610028 Reflex Plus 8.704735376044568E-4 Semi-empirical 0.005396935933147632 Sorption 0.05309888579387187 Synthia 6.963788300835655E-4 TURBOMOLE 3.4818941504178273E-4 VAMP 8.704735376044568E-4 Visualization 0.7345055710306406 X-Cell 0.0017409470752089136 ZDOCK 0.027855153203342618

Year

2023 0.07063350281709496 2024 0.45856809124639275 2025 1.0 2026 0.5740002748385323 2027 0.0

Keywords

target 1.0 potential 0.2999424294761082 docking 0.22090632453326753 analysis 0.21013241220495107 visualization 0.17369849494201825 between 0.14705156674068592 novel 0.09548482605477424 energy 0.07492392466485731 promising 0.07467719384817831 binding 0.07220988568138827 cell 0.05946212681963977 activity 0.045316226663376924 stability 0.037009622501850484 performance 0.03149930092935274 including 0.020067439756558926 synthesized 0.017271157167530225 effective 0.015379554239657867 interaction 0.014474874578501521 experimental 0.012418784439509828 development 0.011760835595032486 mechanism 0.011185130356114813 protein 0.0050168599391397315 enhanced 0.0032897442223867096 strong 0.0010691668722756806 synthesis 0.0
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