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Application

Discovery Studio 1.0 Materials Studio 0.14806629834254142 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.015020026702269693 Amorphous Cell 0.024365821094793058 CASTEP 0.08177570093457943 CDOCKER 0.2683578104138852 CHARMm 0.32309746328437916 COMPASS 0.04472630173564753 COMPASS III 0.011682242990654205 COSMObase 0.0010013351134846463 COSMOconf 0.0013351134846461949 COSMOperm 0.0 COSMOtherm 0.017690253671562083 Catalyst 0.16488651535380508 Classical Simulations 0.42156208277703605 Conformers 0.0 Crystallization 0.017690253671562083 DMol3 0.09078771695594126 DPD 0.0 Discover 3.337783711615487E-4 Forcite 0.06675567423230974 GULP 0.002336448598130841 LUDI 0.0030040053404539386 LibDock 0.10080106809078772 LigandFit 0.011348464619492658 MCSS 0.0010013351134846463 MODELER 0.2473297730307076 Mesocite 6.675567423230974E-4 Mesoscale 6.675567423230974E-4 Morphology 0.0016688918558077437 ONETEP 0.0 Polymorph 0.0 QMERA 3.337783711615487E-4 QSAR 3.337783711615487E-4 Quantum Mechanics 0.1685580774365821 Reflex 0.01568758344459279 Semi-empirical 6.675567423230974E-4 Sorption 0.004005340453938585 VAMP 0.0 Visualization 1.0 ZDOCK 0.03137516688918558

Year

2019 0.0 2020 0.17907106883044208 2021 0.2395075545607163 2022 0.3945159485170677 2023 0.7403469501958589 2024 1.0 2025 0.842753217683268 2026 0.11359820928931169

Keywords

activity 1.0 target 0.9672192916352675 docking 0.4766390354182366 potential 0.36586284853052 visualization 0.36058779201205726 analysis 0.21156744536548605 novel 0.16032403918613414 binding 0.15693293142426526 vitro 0.1271665410700829 compound 0.10097965335342879 inhibition 0.0934438583270535 synthesis 0.0934438583270535 synthesized 0.0849660889223813 protein 0.08458929917106255 silico 0.07629992464204974 promising 0.07516955538809345 between 0.05764883195177091 potent 0.041258477769404674 treatment 0.03636021100226074 active 0.0346646571213263 drug 0.029012810851544838 development 0.016767143933685003 interaction 0.011492087415222306 enzyme 0.005840241145440844 effective 0.0
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