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Application

Discovery Studio 1.0 Materials Studio 0.6397644613785937 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08470089994706194 Amorphous Cell 0.1228163049232398 Blends 5.293806246691371E-4 CASTEP 0.26310217046056117 CDOCKER 0.17998941238750663 CHARMm 0.2456326098464796 COMPASS 0.23769190047644256 COMPASS III 0.03970354685018528 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 5.293806246691371E-4 COSMOquick 0.0 COSMOtherm 0.020645844362096346 Catalyst 0.25622022233986236 Classical Simulations 0.7400741132874536 Conformers 0.0 Crystallization 0.09952355743779778 DFTB Plus 0.0021175224986765486 DMol3 0.1169931180518793 DPD 5.293806246691371E-4 Forcite 0.3467443091582848 GULP 0.010058231868713605 LUDI 0.004235044997353097 LibDock 0.05982001058761249 LigandFit 0.0021175224986765486 MCSS 5.293806246691371E-4 MODELER 0.08946532556908417 MesoDyn 0.0 Mesocite 0.0010587612493382743 Mesoscale 0.0026469031233456856 Morphology 0.01270513499205929 QSAR 5.293806246691371E-4 Quantum Mechanics 0.37797776601376387 Reflex 0.08575966119640022 Reflex Plus 0.0010587612493382743 Semi-empirical 0.0031762837480148226 Sorption 0.03493912122816305 Synthia 0.0010587612493382743 TURBOMOLE 0.0 VAMP 5.293806246691371E-4 Visualization 1.0 X-Cell 0.0026469031233456856 ZDOCK 0.004235044997353097

Year

2022 0.2679337829552422 2023 0.539546290619252 2024 0.841814837522992 2025 1.0 2026 0.325567136725935 2027 0.0

Keywords

synthesized 1.0 target 0.9572962420693021 docking 0.3716447047340166 synthesis 0.3633479746217667 potential 0.28038067349926793 visualization 0.2759882869692533 novel 0.26842362127867253 compound 0.18545632015617375 analysis 0.1603221083455344 activity 0.1366520253782333 binding 0.10419716935090288 promising 0.09321620302586628 between 0.06661786237188873 vitro 0.06612981942410932 design 0.06466569058077111 inhibition 0.06124938994631528 potent 0.05539287457296242 designed 0.05514885309907272 effective 0.021717911176183505 cell 0.018789653489507077 silico 0.01805758906783797 experimental 0.01708150317227916 active 0.010980966325036604 drug 0.004636408003904344 energy 0.0
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