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Application

Discovery Studio 1.0 Materials Studio 0.7871572871572872 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.11428571428571428 Amorphous Cell 0.16547619047619047 Blends 0.0 CASTEP 0.33690476190476193 CDOCKER 0.21071428571428572 CHARMm 0.28809523809523807 COMPASS 0.30357142857142855 COMPASS III 0.06547619047619048 COSMObase 0.0 COSMOconf 0.0 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.02738095238095238 Catalyst 0.3 Classical Simulations 0.9547619047619048 Crystallization 0.13690476190476192 DMol3 0.14285714285714285 DPD 0.0 Forcite 0.4654761904761905 GULP 0.013095238095238096 LUDI 0.004761904761904762 LibDock 0.07023809523809524 LigandFit 0.0011904761904761906 MCSS 0.0011904761904761906 MODELER 0.15119047619047618 MesoDyn 0.0 Mesocite 0.0 Mesoscale 0.002380952380952381 Morphology 0.017857142857142856 QSAR 0.0 Quantum Mechanics 0.48095238095238096 Reflex 0.11666666666666667 Reflex Plus 0.002380952380952381 Sorption 0.04880952380952381 TURBOMOLE 0.0 Visualization 1.0 X-Cell 0.005952380952380952 ZDOCK 0.004761904761904762

Year

2023 0.034055727554179564 2024 0.5286377708978328 2025 1.0 2026 0.41099071207430343 2027 0.0

Keywords

synthesized 1.0 target 0.9373539036933146 synthesis 0.32725572697522204 docking 0.3230481533426835 potential 0.302945301542777 novel 0.26320710612435716 visualization 0.19869097709209912 analysis 0.15007012622720897 compound 0.15007012622720897 promising 0.13043478260869565 activity 0.11407199625993455 binding 0.08882655446470314 between 0.07246376811594203 design 0.06311360448807854 inhibition 0.05236091631603553 potent 0.037868162692847124 vitro 0.031790556334735855 effective 0.021972884525479196 designed 0.018700327255726974 experimental 0.018700327255726974 silico 0.008415147265077139 cell 0.005142589995324918 performance 0.0037400654511453952 strong 4.675081813931744E-4 development 0.0
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