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Application

Discovery Studio 1.0 Materials Studio 0.13958333333333334 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.014936519790888723 Amorphous Cell 0.02315160567587752 CASTEP 0.06646751306945482 CDOCKER 0.2501867064973861 CHARMm 0.3278566094100075 COMPASS 0.04256908140403286 COMPASS III 0.012696041822255415 COSMObase 0.0014936519790888724 COSMOconf 0.0014936519790888724 COSMOtherm 0.018670649738610903 Catalyst 0.16131441374159822 Classical Simulations 0.42494398805078415 Conformers 0.0 Crystallization 0.019417475728155338 DMol3 0.08663181478715459 DPD 0.0 Forcite 0.070201643017177 GULP 0.0014936519790888724 LUDI 0.0037341299477221808 LibDock 0.10380881254667662 LigandFit 0.008215085884988798 MCSS 7.468259895444362E-4 MODELER 0.2270351008215086 Mesocite 0.0 Mesoscale 0.0 Morphology 0.0022404779686333084 QMERA 0.0 Quantum Mechanics 0.15011202389843167 Reflex 0.016430171769977596 Semi-empirical 0.0 Sorption 0.005227781926811053 Visualization 1.0 ZDOCK 0.03286034353995519

Year

2021 0.0 2022 0.5321992709599028 2023 0.7837181044957473 2024 1.0 2025 0.9210206561360875 2026 0.1336573511543135

Keywords

activity 1.0 target 0.9612569952647438 docking 0.49634093844167027 potential 0.3844167025398192 visualization 0.36676711149375807 analysis 0.22858372793801118 binding 0.16229014205768402 novel 0.1571244080929832 vitro 0.1188118811881188 compound 0.10288420146362462 inhibition 0.09212225570383126 synthesized 0.08136030994403788 synthesis 0.08006887645286268 promising 0.0766250538097288 silico 0.0766250538097288 protein 0.07533362031855359 potent 0.03874300473525613 treatment 0.03659061558329746 between 0.0297029702970297 active 0.02324580284115368 drug 0.02324580284115368 development 0.01248385708136031 effective 0.010331467929401636 enzyme 0.0017219113215669393 therapeutic 0.0
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