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Application

Discovery Studio 1.0 Materials Studio 0.012167300380228136 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.008677685950413223 Amorphous Cell 0.004132231404958678 CASTEP 0.003305785123966942 CDOCKER 0.1140495867768595 CHARMm 0.3 COMPASS 0.00909090909090909 COMPASS III 0.002892561983471074 COSMOconf 0.0 COSMOperm 0.0012396694214876034 COSMOquick 4.1322314049586776E-4 COSMOtherm 0.013223140495867768 Catalyst 0.1834710743801653 Classical Simulations 0.3247933884297521 Conformers 0.0 Crystallization 4.1322314049586776E-4 DFTB Plus 0.0 DMol3 0.006611570247933884 Forcite 0.015289256198347107 GULP 0.0 Kinetix 0.0 LUDI 0.007851239669421488 LibDock 0.03595041322314049 LigandFit 0.009504132231404958 MCSS 4.1322314049586776E-4 MODELER 0.18388429752066116 Polymorph 0.0 QSAR 0.0012396694214876034 Quantum Mechanics 0.010330578512396695 Reflex 0.0 Semi-empirical 4.1322314049586776E-4 Sorption 0.001652892561983471 TURBOMOLE 0.0 VAMP 0.0 Visualization 1.0 ZDOCK 0.017355371900826446

Year

2021 0.003915426781519186 2022 0.5246671887235709 2023 0.8496476115896633 2024 1.0 2025 0.7635082223962412 2026 0.0

Keywords

silico 1.0 target 0.9658682634730539 docking 0.6479041916167665 potential 0.5050898203592814 visualization 0.5005988023952096 analysis 0.31047904191616765 vitro 0.2892215568862275 binding 0.26407185628742513 activity 0.19041916167664671 protein 0.1497005988023952 drug 0.13652694610778443 novel 0.11826347305389222 inhibition 0.09401197604790419 compound 0.08832335329341318 promising 0.0781437125748503 synthesis 0.040119760479041915 therapeutic 0.03952095808383234 synthesized 0.03622754491017964 interaction 0.035329341317365266 potent 0.022754491017964073 treatment 0.017964071856287425 between 0.016167664670658683 binding affinity 0.010778443113772455 stability 0.008083832335329342 development 0.0
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