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Application

Discovery Studio 0.9709762532981531 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05946535733769776 Amorphous Cell 0.2878705219130751 Blends 0.002182214948172395 CASTEP 0.33951627568648846 CDOCKER 0.16330241862156755 CHARMm 0.2605928350609202 COMPASS 0.34388070558283323 COMPASS III 0.10474631751227496 COSMObase 0.004728132387706856 COSMOconf 0.005819239861793053 COSMOmic 0.0 COSMOperm 3.637024913620658E-4 COSMOplex 1.818512456810329E-4 COSMOquick 0.0014548099654482633 COSMOtherm 0.06583015093653391 Catalyst 0.0851063829787234 Classical Simulations 1.0 Conformers 3.637024913620658E-4 Crystallization 0.07146753955264594 DFTB Plus 0.0038188761593016913 DMol3 0.1563920712856883 DPD 0.002000363702491362 Discover 0.0038188761593016913 Forcite 0.5322785961083834 GULP 0.02000363702491362 Kinetix 1.818512456810329E-4 LUDI 0.0036370249136206583 LibDock 0.06746681214766322 LigandFit 0.00436442989634479 MCSS 3.637024913620658E-4 MODELER 0.24677214038916168 MesoDyn 5.455537370430987E-4 Mesocite 0.002727768685215494 Mesoscale 0.005091834879068922 Modules 0.0 Morphology 0.01673031460265503 ONETEP 9.092562284051646E-4 Polymorph 0.002182214948172395 QMERA 1.818512456810329E-4 QSAR 7.274049827241316E-4 Quantum Mechanics 0.48590652845971993 Reflex 0.05164575377341335 Reflex Plus 7.274049827241316E-4 Semi-empirical 0.005455537370430988 Sorption 0.057646844880887435 Synthia 0.0010911074740861974 TURBOMOLE 1.818512456810329E-4 VAMP 0.0010911074740861974 Visualization 0.7114020731042008 X-Cell 0.0014548099654482633 ZDOCK 0.027641389343517002

Year

2023 0.014845776880945518 2024 0.4704525799942347 2025 1.0 2026 0.6099740559238974 2027 0.0

Keywords

target 1.0 potential 0.30142460041695623 docking 0.2149930507296734 analysis 0.21047602501737317 visualization 0.16617442668519805 between 0.14758512856150105 novel 0.09468380820013898 promising 0.08104586518415566 energy 0.08052466990965948 binding 0.06879777623349548 cell 0.06497567755385684 activity 0.04699444058373871 performance 0.040218902015288396 stability 0.038134120917303685 including 0.02076094510076442 experimental 0.017112578179291175 synthesized 0.017025712300208478 development 0.015462126476719944 mechanism 0.01485406532314107 effective 0.014246004169562195 enhanced 0.010510771369006255 interaction 0.009815844336344684 strong 0.003995830437804031 design 8.686587908269631E-5 protein 0.0
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