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Application

Discovery Studio 1.0 Materials Studio 0.013903936439147706 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.002173913043478261 Amorphous Cell 0.002484472049689441 CASTEP 0.002484472049689441 CDOCKER 0.1953416149068323 CHARMm 0.29751552795031055 COMPASS 0.0055900621118012426 COMPASS III 9.316770186335404E-4 COSMOperm 0.0 COSMOtherm 0.0015527950310559005 Catalyst 0.17515527950310558 Classical Simulations 0.3111801242236025 Crystallization 6.211180124223603E-4 DMol3 0.008074534161490683 Forcite 0.009006211180124223 GULP 3.1055900621118014E-4 LUDI 0.006211180124223602 LibDock 0.07857142857142857 LigandFit 0.0055900621118012426 MCSS 3.1055900621118014E-4 MODELER 0.19316770186335402 QSAR 6.211180124223603E-4 Quantum Mechanics 0.010559006211180125 Reflex 6.211180124223603E-4 Sorption 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.02422360248447205

Year

2021 0.24090338770388958 2022 0.6022584692597239 2023 0.8676286072772899 2024 1.0 2025 0.7245922208281054 2026 0.0

Keywords

docking 1.0 target 0.9720670391061452 visualization 0.4843145681134508 potential 0.45595186935969056 analysis 0.33046841426729695 binding 0.2926514825956167 activity 0.18972926514825955 novel 0.15535023635582296 protein 0.15513536742587022 silico 0.13730124623979373 vitro 0.11989686291362268 compound 0.10936828534593898 drug 0.10700472711645896 synthesis 0.09024495058014612 synthesized 0.086377309840997 inhibition 0.0812204555221315 interaction 0.07993124194241513 between 0.0767082079931242 treatment 0.04877524709926945 promising 0.0431886549204985 therapeutic 0.0350236355822948 potent 0.019767941555651054 including 0.0066609368285345935 stability 0.0019338203695745595 binding affinity 0.0
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