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Application

Discovery Studio 1.0 Materials Studio 0.8340553776605764 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.056891647271786916 Amorphous Cell 0.26428756141711923 Blends 0.0023273855702094647 CASTEP 0.2986811481768813 CDOCKER 0.19058701836048617 CHARMm 0.3064391000775795 COMPASS 0.3227307990690458 COMPASS III 0.09981898112231705 COSMObase 0.00491336953710887 COSMOconf 0.005430566330488751 COSMOmic 0.0 COSMOperm 5.17196793379881E-4 COSMOplex 2.585983966899405E-4 COSMOquick 7.757951900698216E-4 COSMOtherm 0.061546418412205844 Catalyst 0.08714765968450995 Classical Simulations 1.0 Conformers 5.17196793379881E-4 Crystallization 0.069562968709594 DFTB Plus 0.0033617791569692267 DMol3 0.1448151021463667 DPD 0.0028445823635893457 Discover 0.00491336953710887 Forcite 0.4970261184380657 GULP 0.016291698991466253 Kinetix 0.0 LUDI 0.004654771140418929 LibDock 0.07938970778381174 LigandFit 0.00491336953710887 MCSS 2.585983966899405E-4 MODELER 0.28471683475562454 MesoDyn 5.17196793379881E-4 Mesocite 0.0031031807602792862 Mesoscale 0.0062063615205585725 Morphology 0.015774502198086373 ONETEP 7.757951900698216E-4 Polymorph 0.0023273855702094647 QMERA 2.585983966899405E-4 QSAR 5.17196793379881E-4 Quantum Mechanics 0.4357382984225498 Reflex 0.0504266873545384 Reflex Plus 5.17196793379881E-4 Semi-empirical 0.004654771140418929 Sorption 0.05275407292474787 Synthia 7.757951900698216E-4 TURBOMOLE 0.0 VAMP 5.17196793379881E-4 Visualization 0.7672614429790535 X-Cell 0.0012929919834497026 ZDOCK 0.031031807602792862

Year

2024 0.4320141499005085 2025 1.0 2026 0.8788414768958656 2027 0.0

Keywords

target 1.0 potential 0.32798307826303347 docking 0.2580564887395794 analysis 0.23466467587408238 visualization 0.18464601219360458 between 0.14047530172950107 novel 0.09854423292273236 promising 0.09493592136369292 binding 0.09170088341420929 activity 0.0593505039193729 energy 0.054746796068184646 cell 0.05412467338559164 stability 0.03832275724772925 including 0.025009331840238895 performance 0.020156774916013438 development 0.017046161503048402 synthesized 0.0169217369665298 strong 0.015801916137862387 effective 0.015553067064825184 mechanism 0.010576085604081124 protein 0.010576085604081124 interaction 0.005225830533781261 therapeutic 0.0038571606320766455 enhanced 0.0022396416573348264 synthesis 0.0
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