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Application

Discovery Studio 1.0 Materials Studio 0.3617324115494103 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03882045539380366 Amorphous Cell 0.12915266890630833 Blends 0.0014930944382232176 CASTEP 0.1881298992161254 CDOCKER 0.22209779768570362 CHARMm 0.3564762971257932 COMPASS 0.20903322135125046 COMPASS III 0.020156774916013438 COSMObase 3.732736095558044E-4 COSMOconf 3.732736095558044E-4 COSMOperm 7.465472191116088E-4 COSMOquick 3.732736095558044E-4 COSMOtherm 0.026502426278462114 Catalyst 0.14968271743187755 Classical Simulations 0.7379619260918253 Conformers 3.732736095558044E-4 Crystallization 0.04479283314669653 DFTB Plus 0.004479283314669653 DMol3 0.08734602463605823 DPD 0.0011198208286674132 Forcite 0.2616648002986189 GULP 0.017170586039567004 Kinetix 0.0 LUDI 0.003732736095558044 LibDock 0.09481149682717432 LigandFit 0.006718924972004479 MCSS 0.0011198208286674132 MODELER 0.3370660694288914 MesoDyn 0.0014930944382232176 Mesocite 0.001866368047779022 Mesoscale 0.0048525569242254575 Morphology 0.010824934677118328 ONETEP 0.0 Polymorph 3.732736095558044E-4 QSAR 3.732736095558044E-4 Quantum Mechanics 0.2717431877566256 Reflex 0.032848077640910786 Semi-empirical 0.006345651362448675 Sorption 0.0253826054497947 Synthia 0.0014930944382232176 TURBOMOLE 7.465472191116088E-4 VAMP 0.0014930944382232176 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03732736095558044

Year

2024 0.0

Keywords

target 1.0 docking 0.37234794908062235 potential 0.34812588401697314 visualization 0.28394625176803395 analysis 0.2256011315417256 binding 0.13242574257425743 novel 0.11633663366336634 between 0.1090876944837341 activity 0.10007072135785007 protein 0.07726308345120227 promising 0.045615275813295615 interaction 0.03606789250353607 vitro 0.03164780763790665 silico 0.03094059405940594 synthesis 0.021923620933521924 drug 0.02086280056577086 compound 0.015381895332390382 synthesized 0.011845827439886845 development 0.006895332390381896 treatment 0.006895332390381896 therapeutic 0.003536067892503536 including 0.0021216407355021216 effective 0.0012376237623762376 inhibition 0.0012376237623762376 cell 0.0
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