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Application

Discovery Studio 1.0 Materials Studio 0.5755246822347029 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04695259593679458 Amorphous Cell 0.1598194130925508 Blends 0.002257336343115124 CASTEP 0.2925507900677201 CDOCKER 0.20090293453724606 CHARMm 0.2501128668171558 COMPASS 0.26094808126410834 COMPASS III 0.008126410835214447 COSMObase 0.0 COSMOconf 4.514672686230248E-4 COSMOmic 0.0 COSMOperm 0.0013544018058690745 COSMOquick 9.029345372460496E-4 COSMOtherm 0.04424379232505643 Catalyst 0.16794582392776525 Classical Simulations 0.7151241534988714 Conformers 9.029345372460496E-4 Crystallization 0.04604966139954853 DFTB Plus 0.004966139954853273 DMol3 0.14446952595936793 DPD 0.004063205417607223 Discover 0.01309255079006772 Forcite 0.3033860045146727 GULP 0.02076749435665914 LUDI 0.008577878103837472 LibDock 0.08126410835214447 LigandFit 0.009480812641083521 MCSS 0.002708803611738149 MODELER 0.10338600451467268 MesoDyn 0.0 Mesocite 0.005417607223476298 Mesoscale 0.008126410835214447 Morphology 0.010835214446952596 ONETEP 0.002257336343115124 Polymorph 0.0013544018058690745 QSAR 0.002708803611738149 Quantum Mechanics 0.42979683972911964 Reflex 0.03250564334085779 Reflex Plus 0.0013544018058690745 Semi-empirical 0.009029345372460496 Sorption 0.02708803611738149 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0036117381489841984 Visualization 1.0 X-Cell 0.0 ZDOCK 0.04018058690744921

Year

2022 0.0

Keywords

target 1.0 visualization 0.30557885906040266 docking 0.2751677852348993 potential 0.20092281879194632 analysis 0.13464765100671142 between 0.1260486577181208 binding 0.09207214765100671 novel 0.08557046979865772 activity 0.07927852348993289 interaction 0.057466442953020135 protein 0.052223154362416105 synthesis 0.03355704697986577 energy 0.031879194630872486 cell 0.03104026845637584 synthesized 0.028733221476510067 experimental 0.020553691275167787 drug 0.018666107382550336 well 0.016359060402684564 compound 0.014681208053691275 vitro 0.014681208053691275 silico 0.012793624161073826 mechanism 0.010276845637583893 inhibition 0.007130872483221477 chemical 0.003984899328859061 treatment 0.0
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