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Application

Discovery Studio 1.0 Materials Studio 0.5649072753209701 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07982261640798226 Amorphous Cell 0.29711751662971175 Blends 0.0033259423503325942 CASTEP 0.14301552106430154 CDOCKER 0.19290465631929046 CHARMm 0.35698447893569846 COMPASS 0.3614190687361419 COMPASS III 0.06097560975609756 COSMObase 0.0011086474501108647 COSMOconf 0.0011086474501108647 COSMOmic 0.0 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.036585365853658534 Catalyst 0.11529933481152993 Classical Simulations 1.0 Crystallization 0.03991130820399113 DFTB Plus 0.007760532150776054 DMol3 0.11529933481152993 DPD 0.0022172949002217295 Discover 0.0011086474501108647 Forcite 0.4844789356984479 GULP 0.015521064301552107 LUDI 0.005543237250554324 LibDock 0.07317073170731707 LigandFit 0.0011086474501108647 MODELER 0.24390243902439024 Mesocite 0.005543237250554324 Mesoscale 0.0066518847006651885 Morphology 0.009977827050997782 ONETEP 0.0 Polymorph 0.0011086474501108647 QMERA 0.0 Quantum Mechanics 0.24611973392461198 Reflex 0.02771618625277162 Semi-empirical 0.009977827050997782 Sorption 0.05321507760532151 VAMP 0.0 Visualization 0.8725055432372506 X-Cell 0.0 ZDOCK 0.052106430155210645

Year

2022 0.055819477434679333 2023 0.5617577197149644 2024 0.8824228028503563 2025 1.0 2026 0.22921615201900236 2027 0.0

Keywords

interaction 1.0 target 0.9461538461538461 between 0.4082051282051282 docking 0.3605128205128205 potential 0.32205128205128203 analysis 0.2764102564102564 visualization 0.22615384615384615 binding 0.2194871794871795 protein 0.12051282051282051 energy 0.09333333333333334 mechanism 0.09076923076923077 novel 0.06358974358974359 cell 0.05897435897435897 activity 0.04461538461538461 stability 0.041025641025641026 experimental 0.035897435897435895 drug 0.029743589743589743 development 0.02717948717948718 including 0.024102564102564103 complex 0.017948717948717947 effective 0.016923076923076923 promising 0.01641025641025641 therapeutic 0.010256410256410256 strong 0.006666666666666667 role 0.0
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