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Application

Discovery Studio 0.987908358082308 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0676242887790318 Amorphous Cell 0.27665329726704596 Blends 0.0024251469079376925 CASTEP 0.395858595280291 CDOCKER 0.16826788545844604 CHARMm 0.257345396884619 COMPASS 0.3657308086932189 COMPASS III 0.0802163977240929 COSMObase 0.0033578957186829587 COSMOconf 0.003917545005130118 COSMOmic 2.798246432235799E-4 COSMOperm 0.0013991232161178993 COSMOplex 2.798246432235799E-4 COSMOquick 0.0015856729782669527 COSMOtherm 0.06268072008208189 Cantera 0.0 Catalyst 0.12041787146721387 Classical Simulations 1.0 Conformers 0.001026023691819793 Crystallization 0.07555265367036657 DFTB Plus 0.005596492864471597 DMol3 0.17824829773342038 DPD 0.0027049715511612725 Discover 0.003824270124055592 Forcite 0.5361440164163791 GULP 0.02462456860367503 Kinetix 2.798246432235799E-4 LUDI 0.004943568696949912 LibDock 0.06976961104374592 LigandFit 0.006249417031993284 MCSS 8.394739296707397E-4 MODELER 0.18720268631657494 MesoDyn 0.001305848335043373 Mesocite 0.0036377203619065387 Mesoscale 0.006995616080589497 Modules 0.0 Morphology 0.017349127879861953 ONETEP 0.001026023691819793 Polymorph 0.001958772502565059 QMERA 1.8654976214905325E-4 QSAR 0.0011192985728943196 Quantum Mechanics 0.5622609831172465 Reflex 0.05559182912041787 Reflex Plus 8.394739296707397E-4 Semi-empirical 0.007275440723813077 Sorption 0.056244753287939556 Synthia 0.001305848335043373 TURBOMOLE 5.596492864471598E-4 VAMP 0.001305848335043373 Visualization 0.8355563846656096 X-Cell 0.001305848335043373 ZDOCK 0.028728663370954203

Year

2021 0.03411194358748347 2022 0.14790656676950198 2023 0.3488761568973116 2024 0.7502864698104892 2025 1.0 2026 0.3747025121198766 2027 0.0

Keywords

target 1.0 potential 0.2753159429682437 docking 0.21820317563188593 visualization 0.20540343486714194 analysis 0.19005184705119896 between 0.1542044718081659 novel 0.102600453661698 energy 0.08805897602073882 binding 0.07319345430978613 cell 0.0625 promising 0.056059624108878804 activity 0.052900194426442 interaction 0.038520738820479586 stability 0.035077770576798444 synthesized 0.02952851587815943 experimental 0.029123460790667532 performance 0.027098185353208036 effective 0.02167044718081659 mechanism 0.020981853532080364 development 0.018713545042125728 protein 0.01806545690213869 including 0.015554115359688918 synthesis 0.013245301360985094 design 0.002187297472456254 chemical 0.0
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