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Application

Discovery Studio 1.0 Materials Studio 0.8268206039076377 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0538707102952913 Amorphous Cell 0.26177174780526735 Blends 0.0019952114924181963 CASTEP 0.2745411013567438 CDOCKER 0.19034317637669593 CHARMm 0.3040702314445331 COMPASS 0.320830007980846 COMPASS III 0.1097366320830008 COSMObase 0.0039904229848363925 COSMOconf 0.006384676775738229 COSMOmic 0.0 COSMOperm 3.990422984836393E-4 COSMOplex 3.990422984836393E-4 COSMOquick 3.990422984836393E-4 COSMOtherm 0.05945730247406225 Catalyst 0.08060654429369513 Classical Simulations 1.0 Conformers 3.990422984836393E-4 Crystallization 0.07222665602553871 DFTB Plus 0.002793296089385475 DMol3 0.1288906624102155 DPD 0.0011971268954509178 Discover 0.0031923383878691143 Forcite 0.4972067039106145 GULP 0.013168395849960097 Kinetix 0.0 LUDI 0.003591380686352753 LibDock 0.07741420590582601 LigandFit 0.003591380686352753 MODELER 0.28611332801276934 Mesocite 0.003591380686352753 Mesoscale 0.004389465283320032 Morphology 0.01636073423782921 ONETEP 7.980845969672786E-4 Polymorph 0.0019952114924181963 QMERA 3.990422984836393E-4 Quantum Mechanics 0.3974461292897047 Reflex 0.052673583399840386 Reflex Plus 0.0 Semi-empirical 0.004389465283320032 Sorption 0.05905826017557861 Synthia 7.980845969672786E-4 TURBOMOLE 0.0 VAMP 3.990422984836393E-4 Visualization 0.7482043096568236 X-Cell 0.0011971268954509178 ZDOCK 0.03192338387869114

Year

2024 0.07302169263672471 2025 1.0 2026 0.9471432936144211 2027 0.0

Keywords

target 1.0 potential 0.3442058346839546 docking 0.2623581847649919 analysis 0.2376418152350081 visualization 0.18435980551053485 between 0.12783630470016208 promising 0.09683954619124797 binding 0.09643435980551053 novel 0.09420583468395462 activity 0.05713128038897893 cell 0.0506482982171799 energy 0.049635332252836305 stability 0.03970826580226904 strong 0.029983792544570502 including 0.029173419773095625 performance 0.017017828200972446 development 0.013978930307941654 effective 0.012560777957860616 therapeutic 0.011547811993517018 mechanism 0.008914100486223663 protein 0.0058752025931928685 synthesized 0.00547001620745543 interaction 0.002228525121555916 enhanced 0.0012155591572123178 strategy 0.0
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