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Application

Discovery Studio 0.677891654465593 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.030947775628626693 Amorphous Cell 0.30947775628626695 Blends 0.0 CASTEP 0.3694390715667311 CDOCKER 0.14313346228239845 CHARMm 0.2553191489361702 COMPASS 0.3365570599613153 COMPASS III 0.10058027079303675 COSMObase 0.0038684719535783366 COSMOconf 0.0038684719535783366 COSMOperm 0.0 COSMOplex 0.0 COSMOquick 0.0038684719535783366 COSMOtherm 0.08123791102514506 Catalyst 0.13733075435203096 Classical Simulations 1.0 Crystallization 0.07930367504835589 DFTB Plus 0.005802707930367505 DMol3 0.2127659574468085 DPD 0.0 Discover 0.0 Forcite 0.5357833655705996 GULP 0.027079303675048357 Kinetix 0.0 LUDI 0.0019342359767891683 LibDock 0.06769825918762089 LigandFit 0.0 MODELER 0.17794970986460348 MesoDyn 0.0 Mesocite 0.0 Mesoscale 0.0038684719535783366 Morphology 0.025145067698259187 Polymorph 0.0 QMERA 0.0 QSAR 0.0038684719535783366 Quantum Mechanics 0.5686653771760155 Reflex 0.05222437137330754 Semi-empirical 0.007736943907156673 Sorption 0.06382978723404255 Synthia 0.0019342359767891683 Visualization 0.5067698259187621 ZDOCK 0.019342359767891684

Year

2023 0.015082956259426848 2024 0.4132730015082956 2025 1.0 2026 0.4947209653092006 2027 0.0

Keywords

design 1.0 target 0.9324074074074075 potential 0.22777777777777777 novel 0.15833333333333333 between 0.13703703703703704 synthesis 0.13148148148148148 docking 0.125 promising 0.11944444444444445 analysis 0.11481481481481481 performance 0.10555555555555556 development 0.08796296296296297 energy 0.08611111111111111 synthesized 0.08055555555555556 cell 0.06111111111111111 visualization 0.06018518518518518 activity 0.032407407407407406 efficient 0.030555555555555555 stability 0.030555555555555555 binding 0.027777777777777776 effective 0.012962962962962963 strategy 0.012962962962962963 compound 0.002777777777777778 including 0.001851851851851852 enhanced 0.0 experimental 0.0
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