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Application

Discovery Studio 1.0 Materials Studio 0.9628557645923782 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0695994747209455 Amorphous Cell 0.2606697307944846 Blends 0.005252790544977019 CASTEP 0.41168745896257386 CDOCKER 0.16480630334865398 CHARMm 0.2685489166119501 COMPASS 0.4169402495075509 COMPASS III 0.02757715036112935 COSMObase 6.565988181221273E-4 COSMOconf 0.0 COSMOmic 0.0 COSMOplex 0.0 COSMOquick 0.001969796454366382 COSMOtherm 0.060407091267235716 Catalyst 0.1792514773473408 Classical Simulations 1.0 Conformers 0.001969796454366382 Crystallization 0.07682206172028891 DFTB Plus 0.005252790544977019 DMol3 0.2153644123440578 DPD 0.005252790544977019 Discover 0.007879185817465528 Forcite 0.5088640840446487 GULP 0.03611293499671701 LUDI 0.00984898227183191 LibDock 0.061720288903479976 LigandFit 0.007222586999343401 MCSS 6.565988181221273E-4 MODELER 0.07222586999343401 MesoDyn 6.565988181221273E-4 Mesocite 0.007879185817465528 Mesoscale 0.01247537754432042 Morphology 0.01969796454366382 ONETEP 0.001969796454366382 Polymorph 0.0 QSAR 0.001969796454366382 Quantum Mechanics 0.6145764937623113 Reflex 0.05581089954038083 Reflex Plus 0.0013131976362442547 Semi-empirical 0.007222586999343401 Sorption 0.04464871963230466 Synthia 0.0 TURBOMOLE 0.0013131976362442547 VAMP 0.0013131976362442547 Visualization 0.9074195666447801 X-Cell 6.565988181221273E-4 ZDOCK 0.023637557452396585

Year

2023 0.0

Keywords

target 1.0 docking 0.22575474218541278 visualization 0.22308308843173924 potential 0.1987710392733102 between 0.14400213732300293 analysis 0.13839166444028853 energy 0.08148543948704248 novel 0.08095110873630777 binding 0.061715201709858405 activity 0.05316590969810313 interaction 0.052097248196633715 cell 0.049959925193694896 protein 0.03553299492385787 experimental 0.029655356665776116 synthesized 0.027785199038204648 mechanism 0.024044883783061716 stability 0.014961261020571734 synthesis 0.013892599519102324 compound 0.012556772642265563 chemical 0.010419449639326743 development 0.008282126636387924 well 0.007747795885653219 drug 0.0053433075073470475 promising 5.343307507347048E-4 silico 0.0
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