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Application

Discovery Studio 1.0 Materials Studio 0.8125 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.057461406518010294 Amorphous Cell 0.2641509433962264 Blends 0.003430531732418525 CASTEP 0.2684391080617496 CDOCKER 0.19125214408233276 CHARMm 0.3096054888507719 COMPASS 0.31989708404802747 COMPASS III 0.11063464837049743 COSMObase 0.002572898799313894 COSMOconf 0.003430531732418525 COSMOperm 0.0 COSMOtherm 0.051457975986277875 Catalyst 0.0797598627787307 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06689536878216124 DFTB Plus 0.0 DMol3 0.1183533447684391 DPD 0.002572898799313894 Discover 0.005145797598627788 Forcite 0.49828473413379076 GULP 0.009433962264150943 LUDI 0.002572898799313894 LibDock 0.07461406518010291 LigandFit 0.003430531732418525 MODELER 0.2701543739279588 Mesocite 0.004288164665523156 Mesoscale 0.006003430531732418 Morphology 0.012864493996569469 ONETEP 0.0 Polymorph 0.0017152658662092624 QMERA 0.0 Quantum Mechanics 0.3816466552315609 Reflex 0.05060034305317324 Reflex Plus 0.0 Semi-empirical 0.0017152658662092624 Sorption 0.051457975986277875 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7538593481989708 X-Cell 0.0017152658662092624 ZDOCK 0.03344768439108062

Year

2024 0.03596214511041009 2025 1.0 2026 0.8946372239747634 2027 0.0

Keywords

target 1.0 potential 0.34084995663486556 docking 0.2732003469210755 analysis 0.24414570685169124 visualization 0.19340849956634865 between 0.13226366001734605 binding 0.10581092801387684 promising 0.10537727666955768 novel 0.09670424978317432 activity 0.07241977450130095 cell 0.05680832610581093 strong 0.049002601908065914 energy 0.04423243712055507 stability 0.042931483087597574 including 0.03512575888985256 performance 0.024284475281873375 development 0.022549869904596703 therapeutic 0.022549869904596703 mechanism 0.019080659150043366 effective 0.01647875108412836 enhanced 0.016045099739809193 interaction 0.011708586296617519 protein 0.011274934952298352 synthesized 0.008673026886383347 design 0.0
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