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Application

Discovery Studio 1.0 Materials Studio 0.9691265060240963 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06030603060306031 Amorphous Cell 0.27722772277227725 Blends 0.0036003600360036 CASTEP 0.28172817281728174 CDOCKER 0.17461746174617462 CHARMm 0.27542754275427545 COMPASS 0.3357335733573357 COMPASS III 0.11611161116111611 COSMObase 0.0027002700270027003 COSMOconf 0.0036003600360036 COSMOperm 0.0 COSMOtherm 0.054005400540054004 Catalyst 0.06930693069306931 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.0702070207020702 DFTB Plus 0.0 DMol3 0.12421242124212421 DPD 0.0027002700270027003 Discover 0.0054005400540054005 Forcite 0.5229522952295229 GULP 0.009900990099009901 LUDI 9.000900090009E-4 LibDock 0.06570657065706571 LigandFit 0.0036003600360036 MODELER 0.23312331233123312 Mesocite 0.004500450045004501 Mesoscale 0.0063006300630063005 Morphology 0.013501350135013501 ONETEP 0.0 Polymorph 0.0018001800180018 QMERA 0.0 Quantum Mechanics 0.40054005400540055 Reflex 0.05310531053105311 Reflex Plus 0.0 Semi-empirical 0.0018001800180018 Sorption 0.054005400540054004 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.6822682268226823 X-Cell 0.0018001800180018 ZDOCK 0.0315031503150315

Year

2025 0.9795486600846263 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.31350330500472146 docking 0.23418319169027385 analysis 0.22757318224740322 visualization 0.17138810198300283 between 0.13314447592067988 promising 0.09773371104815864 novel 0.08640226628895184 binding 0.08309726156751653 activity 0.060906515580736544 cell 0.06043437204910293 energy 0.05996222851746931 strong 0.04627006610009443 performance 0.04060434372049103 stability 0.03824362606232295 including 0.030689329556185082 enhanced 0.024079320113314446 mechanism 0.0226628895184136 development 0.016525023607176583 effective 0.009442870632672332 therapeutic 0.009442870632672332 synthesized 0.0084985835694051 experimental 0.008026440037771483 strategy 0.0056657223796034 interaction 0.0
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