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Application

Discovery Studio 1.0 Materials Studio 0.7841250751653638 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05590339892665474 Amorphous Cell 0.2101967799642218 Blends 0.0035778175313059034 CASTEP 0.3940071556350626 CDOCKER 0.17620751341681573 CHARMm 0.2714669051878354 COMPASS 0.33228980322003576 COMPASS III 0.02101967799642218 COSMObase 4.472271914132379E-4 COSMOconf 8.944543828264759E-4 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 0.0 COSMOquick 0.0022361359570661895 COSMOtherm 0.053220035778175315 Catalyst 0.1887298747763864 Classical Simulations 0.8770125223613596 Conformers 0.0017889087656529517 Crystallization 0.0684257602862254 DFTB Plus 0.004472271914132379 DMol3 0.20572450805008943 DPD 0.004919499105545617 Discover 0.006261180679785331 Forcite 0.42262969588550986 GULP 0.03577817531305903 LUDI 0.007155635062611807 LibDock 0.06932021466905187 LigandFit 0.006708407871198569 MCSS 4.472271914132379E-4 MODELER 0.0742397137745975 MesoDyn 8.944543828264759E-4 Mesocite 0.006708407871198569 Mesoscale 0.011180679785330949 Morphology 0.01520572450805009 ONETEP 0.0017889087656529517 Polymorph 8.944543828264759E-4 QMERA 0.0 QSAR 0.0017889087656529517 Quantum Mechanics 0.5854203935599285 Reflex 0.05143112701252236 Reflex Plus 8.944543828264759E-4 Reflex QPA 0.0 Semi-empirical 0.007602862254025045 Sorption 0.03935599284436494 Synthia 0.0 TURBOMOLE 8.944543828264759E-4 VAMP 0.0022361359570661895 Visualization 1.0 X-Cell 0.0013416815742397137 ZDOCK 0.027728085867620753

Year

2023 0.0

Keywords

target 1.0 visualization 0.2622828320567906 docking 0.2533158976274986 potential 0.21576685970483842 analysis 0.14515225107416402 between 0.13244909396600038 novel 0.0848122548103867 binding 0.07117504203250513 activity 0.06332897440687466 energy 0.05791145152251074 interaction 0.05212030637025967 protein 0.04091163833364469 synthesized 0.03456005977956286 cell 0.033439192975901366 experimental 0.019988791331963386 synthesis 0.016813002054922473 mechanism 0.01662619092097889 compound 0.015318512983373809 silico 0.009340556697179151 drug 0.008780123295348403 vitro 0.00859331216140482 chemical 0.00803287875957407 well 0.0037362226788716607 development 0.0031757892770409115 promising 0.0
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