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Application

Discovery Studio 1.0 Materials Studio 0.012792511700468018 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.008264462809917356 Amorphous Cell 0.003615702479338843 CASTEP 0.003615702479338843 CDOCKER 0.11518595041322315 CHARMm 0.30991735537190085 COMPASS 0.009297520661157025 COMPASS III 0.0025826446280991736 COSMOconf 0.0 COSMOperm 0.0015495867768595042 COSMOquick 5.165289256198347E-4 COSMOtherm 0.012913223140495868 Catalyst 0.18078512396694216 Classical Simulations 0.3357438016528926 Crystallization 5.165289256198347E-4 DFTB Plus 0.0 DMol3 0.006714876033057851 Forcite 0.01652892561983471 Kinetix 0.0 LUDI 0.006714876033057851 LibDock 0.033574380165289255 LigandFit 0.009297520661157025 MCSS 0.0 MODELER 0.20351239669421486 Polymorph 0.0 QSAR 5.165289256198347E-4 Quantum Mechanics 0.01084710743801653 Reflex 0.0 Semi-empirical 5.165289256198347E-4 Sorption 0.0010330578512396695 TURBOMOLE 0.0 VAMP 0.0 Visualization 1.0 ZDOCK 0.017045454545454544

Year

2022 0.09402390438247012 2023 0.7250996015936255 2024 1.0 2025 0.7768924302788844 2026 0.0

Keywords

silico 1.0 target 0.9671519223590892 docking 0.64501679731243 potential 0.5158641284061217 visualization 0.4833893243747667 analysis 0.3202687569988802 vitro 0.30011198208286677 binding 0.25009331840238896 activity 0.1881298992161254 protein 0.1261664800298619 drug 0.11310190369540873 novel 0.10265024262784621 inhibition 0.0929451287793953 promising 0.085852930197835 compound 0.07913400522583053 therapeutic 0.036954087346024636 synthesis 0.03135498320268757 synthesized 0.027622247107129527 interaction 0.0167973124300112 potent 0.016424038820455393 between 0.008585293019783502 treatment 0.006345651362448675 stability 0.0029861888764464353 binding affinity 7.465472191116088E-4 including 0.0
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