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Application

Discovery Studio 1.0 Materials Studio 0.9901743051349351 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06726013847675569 Amorphous Cell 0.27479543206546175 Blends 0.002607679165542667 CASTEP 0.4013128315798939 CDOCKER 0.17219674489704162 CHARMm 0.2604981566405899 COMPASS 0.3649851632047478 COMPASS III 0.0791295746785361 COSMObase 0.0032371189641219314 COSMOconf 0.003866558762701196 COSMOmic 2.697599136768276E-4 COSMOperm 0.001348799568384138 COSMOplex 2.697599136768276E-4 COSMOquick 0.0015286395108353565 COSMOtherm 0.06276413991547523 Cantera 0.0 Catalyst 0.12417948026256631 Classical Simulations 1.0 Conformers 9.891196834817012E-4 Crystallization 0.07535293588706052 DFTB Plus 0.005485118244762162 DMol3 0.18136858196205377 DPD 0.002607679165542667 Discover 0.0037766387914755866 Forcite 0.5325959895692833 GULP 0.02499775200071936 Kinetix 2.697599136768276E-4 LUDI 0.005125438359859725 LibDock 0.0713065371819081 LigandFit 0.006743997841920691 MCSS 8.99199712256092E-4 MODELER 0.18784281989029764 MesoDyn 0.0012588795971585289 Mesocite 0.0036867188202499776 Mesoscale 0.006923837784371909 Modules 0.0 Morphology 0.01717471450409136 ONETEP 0.0012588795971585289 Polymorph 0.0018883193957377933 QMERA 1.798399424512184E-4 QSAR 0.0010790396547073105 Quantum Mechanics 0.570632137397716 Reflex 0.0556604621886521 Reflex Plus 8.092797410304828E-4 Semi-empirical 0.007283517669274346 Sorption 0.05602014207355454 Synthia 0.0014387195396097473 TURBOMOLE 5.395198273536552E-4 VAMP 0.0014387195396097473 Visualization 0.8589155651470192 X-Cell 0.0012588795971585289 ZDOCK 0.029763510475676647

Year

2021 0.06825968549591496 2022 0.1730650970745849 2023 0.368532021435474 2024 0.7986471053325134 2025 1.0 2026 0.3734516384081525 2027 0.0

Keywords

target 1.0 potential 0.273652163859879 docking 0.2195845697329377 visualization 0.20960345292689506 analysis 0.188485105399052 between 0.15318509383791282 novel 0.10100581910670932 energy 0.08485876141662492 binding 0.07248834251801611 cell 0.059385718139427335 activity 0.05379783421326448 promising 0.05283440595013295 interaction 0.03872981617788739 stability 0.03271802381594666 synthesized 0.029172607807622646 experimental 0.028209179544491116 performance 0.022775444140429302 effective 0.019653936567883154 mechanism 0.01949978804578211 protein 0.018228062738448497 development 0.017457320127943272 synthesis 0.014412886816447647 including 0.013256772900689814 design 0.0015800223515357046 chemical 0.0
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