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Application

Discovery Studio 1.0 Materials Studio 0.7091584158415841 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06860254083484574 Amorphous Cell 0.22976406533575316 Blends 0.003266787658802178 CASTEP 0.40798548094373865 CDOCKER 0.21560798548094373 CHARMm 0.34627949183303086 COMPASS 0.36152450090744104 COMPASS III 0.037023593466424684 COSMObase 7.259528130671506E-4 COSMOconf 3.629764065335753E-4 COSMOmic 3.629764065335753E-4 COSMOperm 0.001088929219600726 COSMOplex 0.0 COSMOquick 0.0014519056261343012 COSMOtherm 0.050090744101633396 Catalyst 0.1455535390199637 Classical Simulations 1.0 Conformers 0.0014519056261343012 Crystallization 0.07477313974591651 DFTB Plus 0.0054446460980036296 DMol3 0.19346642468239564 DPD 0.0029038112522686023 Discover 0.004718693284936479 Forcite 0.4635208711433757 GULP 0.03121597096188748 Kinetix 0.0 LUDI 0.003629764065335753 LibDock 0.09219600725952813 LigandFit 0.006533575317604356 MCSS 0.001088929219600726 MODELER 0.3277676950998185 MesoDyn 0.002540834845735027 Mesocite 0.003992740471869328 Mesoscale 0.008711433756805808 Morphology 0.013793103448275862 ONETEP 0.0014519056261343012 Polymorph 0.0014519056261343012 QMERA 0.0 QSAR 0.001088929219600726 Quantum Mechanics 0.5891107078039928 Reflex 0.0588021778584392 Semi-empirical 0.007985480943738656 Sorption 0.047549909255898366 Synthia 0.001088929219600726 TURBOMOLE 7.259528130671506E-4 VAMP 0.0018148820326678765 Visualization 0.9985480943738657 X-Cell 3.629764065335753E-4 ZDOCK 0.036297640653357534

Year

2024 0.0

Keywords

target 1.0 potential 0.2993216115187595 docking 0.2705247127232452 visualization 0.21071576907102313 analysis 0.20019382528035443 between 0.1434307074622733 novel 0.10674235082375744 binding 0.09109788176657899 activity 0.07088467395818912 energy 0.04444136785269279 interaction 0.044026027966219024 promising 0.043749134708569844 protein 0.04014952235913056 cell 0.026027966219022567 stability 0.017998061747196457 synthesized 0.017305828603073514 synthesis 0.015367575799529281 effective 0.014398449397757165 mechanism 0.013152429738335872 development 0.010521943790668698 vitro 0.005399418524158936 including 0.005260971895334349 experimental 0.005122525266509761 silico 0.0029073792053163506 compound 0.0
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