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Application

Discovery Studio 0.8712708480150341 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06807930347214937 Amorphous Cell 0.2895206126088325 Blends 0.002307772999055911 CASTEP 0.39714675338298544 CDOCKER 0.15378160075527117 CHARMm 0.2374908213573901 COMPASS 0.3748033148012168 COMPASS III 0.08465330955627819 COSMObase 0.003356760725899507 COSMOconf 0.004405748452743103 COSMOmic 2.097975453687192E-4 COSMOperm 0.0013636840448966747 COSMOplex 3.1469631805307877E-4 COSMOquick 0.0014685828175810343 COSMOtherm 0.06587642924577783 Cantera 0.0 Catalyst 0.10563306409315011 Classical Simulations 1.0 Conformers 6.293926361061575E-4 Crystallization 0.07468792615126403 DFTB Plus 0.005979230043008496 DMol3 0.17958669883562361 DPD 0.003042064407846428 Discover 0.003881254589321305 Forcite 0.552501835728522 GULP 0.02339242630861219 Kinetix 2.097975453687192E-4 LUDI 0.0035665582712682263 LibDock 0.06419804888282807 LigandFit 0.00503514108884926 MCSS 4.195950907374384E-4 MODELER 0.18682471415084442 MesoDyn 0.0010489877268435959 Mesocite 0.003881254589321305 Mesoscale 0.0071331165425364525 Modules 0.0 Morphology 0.01783279135634113 ONETEP 0.0010489877268435959 Polymorph 0.001993076681002832 QMERA 2.097975453687192E-4 QSAR 0.0011538864995279555 Quantum Mechanics 0.5655092835413825 Reflex 0.05412776670512955 Reflex Plus 9.440889541592364E-4 Semi-empirical 0.00765761040595825 Sorption 0.05654043847686982 Synthia 0.0013636840448966747 TURBOMOLE 5.244938634217979E-4 VAMP 0.001258785272212315 Visualization 0.7443616909682157 X-Cell 0.0013636840448966747 ZDOCK 0.027063883352564776

Year

2022 0.10296058834621911 2023 0.21704695455402603 2024 0.7109183481048463 2025 1.0 2026 0.4007165755232887 2027 0.0

Keywords

target 1.0 potential 0.2723831156539845 docking 0.19638462994510694 analysis 0.19046943024796517 visualization 0.17821313647548742 between 0.1592371758470566 energy 0.09762445580162786 novel 0.0972458830210108 cell 0.0693261404505016 binding 0.06326897596062843 promising 0.062180579216354344 activity 0.04580730645466591 stability 0.04069657391633542 performance 0.03828317243990157 experimental 0.032888510316108274 interaction 0.03165814877910278 synthesized 0.02768313458262351 effective 0.023471512398258565 mechanism 0.022667045239447285 including 0.018266136664773804 development 0.01788756388415673 synthesis 0.00832860117357562 protein 0.0068143100511073255 design 0.0026973310618966496 chemical 0.0
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