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Application

Discovery Studio 1.0 Materials Studio 0.7869343721905904 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06005338078291815 Amorphous Cell 0.199288256227758 Blends 0.0026690391459074734 CASTEP 0.40391459074733094 CDOCKER 0.19795373665480426 CHARMm 0.24644128113879005 COMPASS 0.3305160142348754 COMPASS III 0.010231316725978648 COSMObase 0.0 COSMOconf 4.4483985765124553E-4 COSMOmic 0.0 COSMOperm 0.0013345195729537367 COSMOquick 0.0013345195729537367 COSMOtherm 0.06405693950177936 Catalyst 0.16548042704626334 Classical Simulations 0.8398576512455516 Conformers 8.896797153024911E-4 Crystallization 0.061832740213523134 DFTB Plus 0.006227758007117438 DMol3 0.2041814946619217 DPD 0.004893238434163701 Discover 0.017348754448398576 Forcite 0.3830071174377224 GULP 0.028469750889679714 LUDI 0.008451957295373666 LibDock 0.0800711743772242 LigandFit 0.009341637010676156 MCSS 0.0026690391459074734 MODELER 0.10186832740213524 MesoDyn 0.0013345195729537367 Mesocite 0.006227758007117438 Mesoscale 0.01112099644128114 Morphology 0.015569395017793594 ONETEP 0.002224199288256228 Polymorph 0.0017793594306049821 QSAR 0.003113879003558719 Quantum Mechanics 0.597864768683274 Reflex 0.04359430604982206 Reflex Plus 0.0017793594306049821 Semi-empirical 0.011565836298932384 Sorption 0.03425266903914591 Synthia 0.0 TURBOMOLE 4.4483985765124553E-4 VAMP 0.004893238434163701 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03959074733096085

Year

2022 0.0

Keywords

target 1.0 visualization 0.26187865497076024 docking 0.22953216374269006 potential 0.1871345029239766 between 0.14181286549707603 analysis 0.12828947368421054 novel 0.07949561403508772 binding 0.07328216374269006 activity 0.06597222222222222 energy 0.05866228070175439 interaction 0.05646929824561404 experimental 0.04349415204678363 cell 0.03837719298245614 protein 0.0360014619883041 synthesis 0.029970760233918127 synthesized 0.027412280701754384 well 0.024853801169590642 mechanism 0.01699561403508772 chemical 0.010051169590643274 drug 0.008223684210526315 compound 0.00712719298245614 vitro 0.0029239766081871343 design 0.0021929824561403508 silico 0.0014619883040935672 inhibition 0.0
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