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Application

Discovery Studio 1.0 Materials Studio 0.5624591236102028 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08463035019455253 Amorphous Cell 0.2898832684824903 Blends 0.0019455252918287938 CASTEP 0.1254863813229572 CDOCKER 0.17217898832684825 CHARMm 0.3647859922178988 COMPASS 0.32782101167315175 COMPASS III 0.08463035019455253 COSMObase 0.0019455252918287938 COSMOconf 0.0048638132295719845 COSMOquick 9.727626459143969E-4 COSMOtherm 0.05155642023346303 Catalyst 0.08754863813229571 Classical Simulations 1.0 Crystallization 0.033073929961089495 DFTB Plus 0.006809338521400778 DMol3 0.11186770428015565 DPD 0.0 Discover 0.0019455252918287938 Forcite 0.4766536964980545 GULP 0.009727626459143969 LUDI 0.0019455252918287938 LibDock 0.07490272373540856 LigandFit 9.727626459143969E-4 MODELER 0.30642023346303504 MesoDyn 0.0 Mesocite 0.0048638132295719845 Mesoscale 0.005836575875486381 Morphology 0.013618677042801557 ONETEP 9.727626459143969E-4 Polymorph 0.0 QMERA 0.0 Quantum Mechanics 0.22762645914396887 Reflex 0.017509727626459144 Semi-empirical 0.007782101167315175 Sorption 0.048638132295719845 Synthia 0.0 Visualization 0.7636186770428015 X-Cell 0.0 ZDOCK 0.057392996108949414

Year

2023 0.08638132295719844 2024 0.5898832684824903 2025 1.0 2026 0.3120622568093385 2027 0.0

Keywords

interaction 1.0 target 0.937037037037037 between 0.4134259259259259 docking 0.3648148148148148 potential 0.3472222222222222 analysis 0.28935185185185186 binding 0.2263888888888889 visualization 0.18333333333333332 energy 0.09166666666666666 mechanism 0.0912037037037037 protein 0.08564814814814815 stability 0.06620370370370371 cell 0.058333333333333334 novel 0.05694444444444444 including 0.04212962962962963 strong 0.04027777777777778 activity 0.0375 promising 0.03564814814814815 therapeutic 0.028703703703703703 effective 0.021296296296296296 development 0.01990740740740741 complex 0.017592592592592594 drug 0.016203703703703703 experimental 0.014351851851851852 silico 0.0
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