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Application

Discovery Studio 1.0 Materials Studio 0.8949016878371324 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05778491171749599 Amorphous Cell 0.2698922265535428 Blends 0.0020637468470534283 CASTEP 0.31552396239394637 CDOCKER 0.18229763815638614 CHARMm 0.29213483146067415 COMPASS 0.3274478330658106 COMPASS III 0.10364595276312773 COSMObase 0.004815409309791332 COSMOconf 0.005732630130703967 COSMOmic 0.0 COSMOperm 4.5861041045631735E-4 COSMOplex 2.2930520522815867E-4 COSMOquick 6.87915615684476E-4 COSMOtherm 0.06374684705342812 Catalyst 0.08576014675533135 Classical Simulations 1.0 Conformers 4.5861041045631735E-4 Crystallization 0.0710846136207292 DFTB Plus 0.00343957807842238 DMol3 0.14698463655124971 DPD 0.0025223572575097455 Discover 0.004586104104563174 Forcite 0.5065351983490025 GULP 0.01742719559734006 Kinetix 2.2930520522815867E-4 LUDI 0.004356798899335015 LibDock 0.07681724375143316 LigandFit 0.004586104104563174 MCSS 2.2930520522815867E-4 MODELER 0.27287319422150885 MesoDyn 6.87915615684476E-4 Mesocite 0.002980967667966063 Mesoscale 0.005961935335932126 Modules 0.0 Morphology 0.016739279981655582 ONETEP 9.172208209126347E-4 Polymorph 0.0020637468470534283 QMERA 2.2930520522815867E-4 QSAR 4.5861041045631735E-4 Quantum Mechanics 0.45379500114652604 Reflex 0.051135060765879384 Reflex Plus 6.87915615684476E-4 Semi-empirical 0.004815409309791332 Sorption 0.05434533363907361 Synthia 0.0011465260261407934 TURBOMOLE 0.0 VAMP 6.87915615684476E-4 Visualization 0.745700527401972 X-Cell 0.001375831231368952 ZDOCK 0.030268287090116947

Year

2023 0.0 2024 0.46409472880061114 2025 1.0 2026 0.7820855614973262 2027 0.0019098548510313217

Keywords

target 1.0 potential 0.3138262962152702 docking 0.2434915773353752 analysis 0.22434915773353753 visualization 0.17621964559177422 between 0.14241960183767227 novel 0.09702472106760009 promising 0.08969590899146795 binding 0.08378910522861518 energy 0.06377160358783636 cell 0.056333406256836575 activity 0.05545832421789543 stability 0.040253773791292934 performance 0.02822139575585211 including 0.02362721505141107 development 0.018704878582367097 synthesized 0.0177204112885583 effective 0.015423320936337782 mechanism 0.01334500109385255 strong 0.009735287683220302 protein 0.008422664624808576 interaction 0.006891271056661562 experimental 0.006344344782323342 enhanced 0.0059068037628527675 synthesis 0.0
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