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Application

Discovery Studio 0.9717008797653959 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06251132451531075 Amorphous Cell 0.2828410944011596 Blends 0.0021743069396629824 CASTEP 0.34027903605725673 CDOCKER 0.1647037506794709 CHARMm 0.262728755209277 COMPASS 0.34317811197680737 COMPASS III 0.10364196412393549 COSMObase 0.00452980612429788 COSMOconf 0.005979344084073202 COSMOmic 0.0 COSMOperm 3.623844899438304E-4 COSMOplex 1.811922449719152E-4 COSMOquick 0.0010871534698314912 COSMOtherm 0.0655915926798333 Catalyst 0.0835296249320529 Classical Simulations 1.0 Conformers 3.623844899438304E-4 Crystallization 0.07084616778401884 DFTB Plus 0.003986229389382134 DMol3 0.1525638702663526 DPD 0.001993114694691067 Discover 0.003623844899438304 Forcite 0.5292625475629643 GULP 0.019749954701938757 Kinetix 1.811922449719152E-4 LUDI 0.0038050371444102193 LibDock 0.07102736002899077 LigandFit 0.0038050371444102193 MCSS 5.435767349157456E-4 MODELER 0.24950172132632722 MesoDyn 7.247689798876608E-4 Mesocite 0.002899075919550643 Mesoscale 0.005435767349157456 Modules 0.0 Morphology 0.016126109802500455 ONETEP 7.247689798876608E-4 Polymorph 0.001993114694691067 QMERA 1.811922449719152E-4 QSAR 5.435767349157456E-4 Quantum Mechanics 0.4837832940750136 Reflex 0.051458597572023916 Reflex Plus 7.247689798876608E-4 Semi-empirical 0.005616959594129371 Sorption 0.056713172676209456 Synthia 0.0010871534698314912 TURBOMOLE 3.623844899438304E-4 VAMP 0.0010871534698314912 Visualization 0.6994020655915927 X-Cell 0.001630730204747237 ZDOCK 0.028809566950534517

Year

2023 0.0015870725725003606 2024 0.483480017313519 2025 1.0 2026 0.6123214543355937 2027 0.0

Keywords

target 1.0 potential 0.29808190772420945 docking 0.21384136858475894 analysis 0.2113357525488163 visualization 0.16191463625367203 between 0.14757214446172456 novel 0.0935717988595127 promising 0.08043891480905478 energy 0.07897010540867462 binding 0.06963884568861241 cell 0.06281320200449284 activity 0.0454466908588215 stability 0.03965785381026438 performance 0.03957145325730085 including 0.021254536029030584 effective 0.016156903404181785 experimental 0.016156903404181785 mechanism 0.015206497321582859 synthesized 0.014342491791947468 development 0.013910489027129774 interaction 0.01261448073267669 enhanced 0.009849663037843442 strong 0.0037152237774321756 protein 0.003196820459650942 design 0.0
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