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Application

Discovery Studio 0.8929804372842347 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.060109289617486336 Amorphous Cell 0.2923497267759563 Blends 0.0 CASTEP 0.26639344262295084 CDOCKER 0.14617486338797814 CHARMm 0.24180327868852458 COMPASS 0.3551912568306011 COMPASS III 0.11065573770491803 COSMObase 0.00273224043715847 COSMOconf 0.006830601092896175 COSMOperm 0.0 COSMOplex 0.0 COSMOtherm 0.060109289617486336 Catalyst 0.0778688524590164 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.08743169398907104 DFTB Plus 0.004098360655737705 DMol3 0.12568306010928962 DPD 0.00273224043715847 Discover 0.00819672131147541 Forcite 0.5491803278688525 GULP 0.01092896174863388 Kinetix 0.0 LUDI 0.001366120218579235 LibDock 0.06557377049180328 LigandFit 0.0 MODELER 0.22404371584699453 Mesocite 0.00273224043715847 Mesoscale 0.004098360655737705 Morphology 0.017759562841530054 ONETEP 0.0 Polymorph 0.00273224043715847 Quantum Mechanics 0.3866120218579235 Reflex 0.06284153005464481 Reflex Plus 0.0 Semi-empirical 0.004098360655737705 Sorption 0.06830601092896176 Synthia 0.0 Visualization 0.6338797814207651 X-Cell 0.001366120218579235 ZDOCK 0.025956284153005466

Year

2025 0.8551941238195173 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.30864197530864196 analysis 0.2251270878721859 docking 0.20697167755991286 visualization 0.1503267973856209 between 0.11328976034858387 promising 0.08714596949891068 novel 0.08496732026143791 binding 0.07697893972403776 energy 0.06899055918663761 cell 0.05809731299927379 performance 0.05737109658678286 strong 0.03848946986201888 strategy 0.03631082062454612 activity 0.03558460421205519 stability 0.03413217138707335 including 0.027596223674655047 mechanism 0.0196078431372549 enhanced 0.01670297748729121 therapeutic 0.013071895424836602 effective 0.010893246187363835 efficient 0.008714596949891068 experimental 0.005083514887436456 synthesized 0.002178649237472767 development 0.0
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