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Application

Discovery Studio 0.898167873881551 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08102633355840648 Amorphous Cell 0.24172856178257934 Blends 0.004051316677920324 CASTEP 0.587440918298447 CDOCKER 0.19783929777177583 CHARMm 0.24780553679945982 COMPASS 0.4064821066846725 COMPASS III 0.01350438892640108 COSMObase 6.752194463200541E-4 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 0.0013504388926401081 COSMOplex 0.0 COSMOquick 6.752194463200541E-4 COSMOtherm 0.09318028359216746 Catalyst 0.16340310600945307 Classical Simulations 0.9918973666441594 Conformers 0.0013504388926401081 Crystallization 0.09385550303848751 DFTB Plus 0.008777852802160702 DMol3 0.29304523970290347 DPD 0.008777852802160702 Discover 0.02228224172856178 Forcite 0.45847400405131666 GULP 0.04591492234976367 LUDI 0.00675219446320054 LibDock 0.07967589466576637 LigandFit 0.010803511141120865 MCSS 0.002025658338960162 MODELER 0.08507765023632681 MesoDyn 0.004051316677920324 Mesocite 0.01012829169480081 Mesoscale 0.020931802835921675 Morphology 0.02363268062120189 ONETEP 0.00337609723160027 Polymorph 0.004051316677920324 QMERA 6.752194463200541E-4 QSAR 0.00337609723160027 Quantum Mechanics 0.8676569885212694 Reflex 0.0661715057393653 Reflex Plus 0.002025658338960162 Semi-empirical 0.014854827819041188 Sorption 0.04321404456448346 Synthia 6.752194463200541E-4 TURBOMOLE 0.0013504388926401081 VAMP 0.004051316677920324 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03916272788656313

Year

2022 0.0

Keywords

target 1.0 visualization 0.21706908917045184 docking 0.17929715515180492 potential 0.17690652641644752 between 0.15730337078651685 analysis 0.1264642601004064 energy 0.08701888596700932 novel 0.07721730815204399 experimental 0.06885010757829309 binding 0.056179775280898875 activity 0.051159454936648335 interaction 0.04805163758068372 cell 0.040640688501075786 well 0.03562036815682525 chemical 0.032990676547932106 synthesized 0.031078173559646188 mechanism 0.02366722448003825 synthesis 0.02008128137700215 surface 0.014821898159215873 protein 0.013387520918001434 higher 0.007889074826679417 stability 0.007650011953143677 design 0.007410949079607937 promising 0.006932823332536457 drug 0.0
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