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Application

Discovery Studio 0.8523342790817643 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0633289124668435 Amorphous Cell 0.29045092838196285 Blends 0.001989389920424403 CASTEP 0.35809018567639256 CDOCKER 0.14937002652519893 CHARMm 0.2413793103448276 COMPASS 0.35610079575596815 COMPASS III 0.10295092838196286 COSMObase 0.0044761273209549075 COSMOconf 0.005305039787798408 COSMOmic 1.6578249336870026E-4 COSMOperm 9.946949602122016E-4 COSMOplex 1.6578249336870026E-4 COSMOquick 0.0014920424403183023 COSMOtherm 0.0656498673740053 Catalyst 0.07742042440318303 Classical Simulations 1.0 Conformers 4.973474801061008E-4 Crystallization 0.07228116710875332 DFTB Plus 0.003647214854111406 DMol3 0.16296419098143236 DPD 0.0023209549071618036 Discover 0.003647214854111406 Forcite 0.5485742705570292 GULP 0.021220159151193633 Kinetix 1.6578249336870026E-4 LUDI 0.0029840848806366046 LibDock 0.0643236074270557 LigandFit 0.003812997347480106 MCSS 1.6578249336870026E-4 MODELER 0.22645888594164457 MesoDyn 6.63129973474801E-4 Mesocite 0.0031498673740053052 Mesoscale 0.005968169761273209 Modules 0.0 Morphology 0.016744031830238728 ONETEP 8.289124668435014E-4 Polymorph 0.001823607427055703 QMERA 1.6578249336870026E-4 QSAR 6.63129973474801E-4 Quantum Mechanics 0.5099469496021221 Reflex 0.052553050397877984 Reflex Plus 0.0011604774535809018 Semi-empirical 0.005139257294429708 Sorption 0.058355437665782495 Synthia 0.001326259946949602 TURBOMOLE 1.6578249336870026E-4 VAMP 9.946949602122016E-4 Visualization 0.6601458885941645 X-Cell 0.0016578249336870027 ZDOCK 0.02453580901856764

Year

2023 0.017899911760998363 2024 0.4095550233203076 2025 1.0 2026 0.5340980713475356 2027 0.0

Keywords

target 1.0 potential 0.29124579124579125 analysis 0.2059483726150393 docking 0.19560686227352894 between 0.15720699054032386 visualization 0.1556036556036556 energy 0.09700176366843033 novel 0.09652076318742986 promising 0.08353375020041687 cell 0.07166907166907167 binding 0.06405323071989738 performance 0.05371172037838705 stability 0.047779381112714445 activity 0.04064454064454064 experimental 0.027417027417027416 including 0.025493025493025494 effective 0.023809523809523808 mechanism 0.021404521404521405 synthesized 0.02068302068302068 interaction 0.019721019721019722 development 0.019079685746352413 enhanced 0.01787718454385121 strong 0.006974506974506974 design 0.005451338784672118 protein 0.0
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