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Application

Discovery Studio 0.9974021475580187 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.060350284870225784 Amorphous Cell 0.2823380460012661 Blends 0.002110149820637265 CASTEP 0.33066047689385947 CDOCKER 0.16902300063304496 CHARMm 0.27052120700569743 COMPASS 0.3359358514454526 COMPASS III 0.10761764085250053 COSMObase 0.005064359569529437 COSMOconf 0.006330449461911795 COSMOmic 0.0 COSMOperm 4.2202996412745304E-4 COSMOplex 2.1101498206372652E-4 COSMOquick 0.0012660898923823592 COSMOtherm 0.06710276429626504 Catalyst 0.07976366322008863 Classical Simulations 1.0 Conformers 4.2202996412745304E-4 Crystallization 0.07132306393753957 DFTB Plus 0.0031652247309558977 DMol3 0.1519307870858831 DPD 0.0023211648027009917 Discover 0.00422029964127453 Forcite 0.5224730955897868 GULP 0.019202363367799114 Kinetix 2.1101498206372652E-4 LUDI 0.004009284659210804 LibDock 0.07111204895547583 LigandFit 0.00422029964127453 MCSS 2.1101498206372652E-4 MODELER 0.2536400084405993 MesoDyn 6.330449461911796E-4 Mesocite 0.0029542097488921715 Mesoscale 0.005697404515720616 Modules 0.0 Morphology 0.01688119856509812 ONETEP 8.440599282549061E-4 Polymorph 0.0018991348385735388 QMERA 2.1101498206372652E-4 QSAR 6.330449461911796E-4 Quantum Mechanics 0.4730955897868749 Reflex 0.051487655623549275 Reflex Plus 6.330449461911796E-4 Semi-empirical 0.00485334458746571 Sorption 0.05655201519307871 Synthia 0.0012660898923823592 TURBOMOLE 0.0 VAMP 0.0010550749103186326 Visualization 0.700569740451572 X-Cell 0.0012660898923823592 ZDOCK 0.028909052542730535

Year

2023 0.0 2024 0.42511994516792323 2025 1.0 2026 0.7217272104180946 2027 0.0017135023989033585

Keywords

target 1.0 potential 0.3031600407747197 docking 0.22069317023445464 analysis 0.2145769622833843 visualization 0.1617737003058104 between 0.145769622833843 novel 0.09306829765545362 promising 0.0855249745158002 energy 0.07594291539245668 binding 0.07247706422018349 cell 0.061569826707441384 activity 0.046381243628950054 stability 0.040774719673802244 performance 0.037920489296636085 including 0.022528032619775738 development 0.016106014271151887 synthesized 0.015392456676860346 effective 0.014678899082568808 experimental 0.012945973496432213 mechanism 0.012844036697247707 enhanced 0.010703363914373088 strong 0.009480122324159021 interaction 0.006625891946992864 protein 1.0193679918450561E-4 design 0.0
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