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Application

Discovery Studio 1.0 Materials Studio 0.7893950709484691 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.052521008403361345 Amorphous Cell 0.25315126050420167 CASTEP 0.2920168067226891 CDOCKER 0.19852941176470587 CHARMm 0.34243697478991597 COMPASS 0.3119747899159664 COMPASS III 0.10189075630252101 COSMObase 0.004201680672268907 COSMOconf 0.0010504201680672268 COSMOperm 0.0010504201680672268 COSMOplex 0.0 COSMOquick 0.0010504201680672268 COSMOtherm 0.052521008403361345 Catalyst 0.08298319327731092 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.0703781512605042 DFTB Plus 0.0021008403361344537 DMol3 0.13550420168067226 DPD 0.0 Discover 0.0 Forcite 0.45588235294117646 GULP 0.01050420168067227 LUDI 0.0010504201680672268 LibDock 0.07878151260504201 LigandFit 0.004201680672268907 MODELER 0.2815126050420168 Mesocite 0.0021008403361344537 Mesoscale 0.0021008403361344537 Morphology 0.01995798319327731 ONETEP 0.0 Polymorph 0.0021008403361344537 Quantum Mechanics 0.42436974789915966 Reflex 0.04726890756302521 Semi-empirical 0.0031512605042016808 Sorption 0.0546218487394958 VAMP 0.0 Visualization 0.7794117647058824 X-Cell 0.0021008403361344537 ZDOCK 0.032563025210084036

Year

2025 1.0 2026 0.0

Keywords

target 1.0 potential 0.3595326606479023 docking 0.2825278810408922 analysis 0.2586298459904408 visualization 0.2060541688794477 between 0.1332979288369623 promising 0.11258629845990441 binding 0.1088688263409453 novel 0.1088688263409453 activity 0.06585236325013277 energy 0.057886351566648966 cell 0.05363781200212427 stability 0.05204460966542751 strong 0.04460966542750929 development 0.03664365374402549 therapeutic 0.03505045140732873 including 0.032926181625066386 enhanced 0.02496016994158258 protein 0.022835900159320233 mechanism 0.022304832713754646 performance 0.015400955921402018 synthesized 0.013276686139139671 effective 0.01168348380244291 strategy 0.004779607010090282 inhibition 0.0
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