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Application

Discovery Studio 1.0 Materials Studio 0.9451233059320151 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06262230919765166 Amorphous Cell 0.2762091137824993 Blends 0.0019569471624266144 CASTEP 0.3192619513558848 CDOCKER 0.17388873357562204 CHARMm 0.2784456248252726 COMPASS 0.33687447581772434 COMPASS III 0.09980430528375733 COSMObase 0.00363433044450657 COSMOconf 0.006709533128319821 COSMOmic 0.0 COSMOperm 5.591277606933184E-4 COSMOplex 2.795638803466592E-4 COSMOquick 8.386916410399776E-4 COSMOtherm 0.06290187307799833 Catalyst 0.0835896002236511 Classical Simulations 1.0 Conformers 2.795638803466592E-4 Crystallization 0.0698909700866648 DFTB Plus 0.0022365110427732737 DMol3 0.14313670673748952 DPD 0.0011182555213866368 Discover 0.004193458205199888 Forcite 0.5197092535644394 GULP 0.01789208834218619 Kinetix 0.0 LUDI 0.003913894324853229 LibDock 0.07464355605255801 LigandFit 0.003913894324853229 MCSS 5.591277606933184E-4 MODELER 0.2658652502096729 MesoDyn 8.386916410399776E-4 Mesocite 0.0030752026838132512 Mesoscale 0.005032149846239866 Morphology 0.016214705060106235 ONETEP 5.591277606933184E-4 Polymorph 0.0013978194017332962 QMERA 0.0 QSAR 5.591277606933184E-4 Quantum Mechanics 0.4542913055633212 Reflex 0.051160190103438634 Reflex Plus 0.0 Semi-empirical 0.00363433044450657 Sorption 0.052278445624825275 Synthia 8.386916410399776E-4 TURBOMOLE 2.795638803466592E-4 VAMP 8.386916410399776E-4 Visualization 0.7165222253284875 X-Cell 0.0019569471624266144 ZDOCK 0.03187028235951915

Year

2023 0.0 2024 0.33214659685863873 2025 1.0 2026 0.641675392670157 2027 4.18848167539267E-4

Keywords

target 1.0 potential 0.31068090787716957 docking 0.22643524699599465 analysis 0.2124165554072096 visualization 0.1658210947930574 between 0.14152202937249667 novel 0.0993324432576769 promising 0.0829105473965287 binding 0.07757009345794393 energy 0.06421895861148198 cell 0.05807743658210948 activity 0.04966622162883845 stability 0.03778371161548732 performance 0.027770360480640854 including 0.02349799732977303 development 0.01562082777036048 effective 0.01295060080106809 strong 0.012149532710280374 mechanism 0.010947930574098798 interaction 0.007743658210947931 synthesized 0.007610146862483311 enhanced 0.005473965287049399 experimental 0.0041388518024032045 protein 0.0033377837116154874 design 0.0
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