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Application

Discovery Studio 0.9994353472614342 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.062456946039035593 Amorphous Cell 0.2780711825487945 Blends 0.0016073478760045925 CASTEP 0.33272101033295065 CDOCKER 0.16211251435132032 CHARMm 0.26888633754305397 COMPASS 0.3446613088404133 COMPASS III 0.09781859931113662 COSMObase 0.004362801377726751 COSMOconf 0.006199770378874856 COSMOmic 0.0 COSMOperm 6.888633754305396E-4 COSMOplex 2.296211251435132E-4 COSMOquick 0.001148105625717566 COSMOtherm 0.06452353616532722 Catalyst 0.08886337543053961 Classical Simulations 1.0 Conformers 2.296211251435132E-4 Crystallization 0.07026406429391505 DFTB Plus 0.0036739380022962113 DMol3 0.14925373134328357 DPD 0.0013777267508610792 Discover 0.0036739380022962113 Forcite 0.5299655568312285 GULP 0.018140068886337544 Kinetix 0.0 LUDI 0.0036739380022962113 LibDock 0.07072330654420207 LigandFit 0.0039035591274397246 MCSS 6.888633754305396E-4 MODELER 0.25304247990815154 MesoDyn 6.888633754305396E-4 Mesocite 0.003444316877152698 Mesoscale 0.005281285878300804 Morphology 0.016073478760045924 ONETEP 6.888633754305396E-4 Polymorph 0.0016073478760045925 QMERA 0.0 QSAR 4.592422502870264E-4 Quantum Mechanics 0.4734787600459242 Reflex 0.05143513203214696 Reflex Plus 4.592422502870264E-4 Semi-empirical 0.004822043628013777 Sorption 0.0521239954075775 Synthia 6.888633754305396E-4 TURBOMOLE 2.296211251435132E-4 VAMP 6.888633754305396E-4 Visualization 0.7129735935706085 X-Cell 0.0018369690011481056 ZDOCK 0.03030998851894374

Year

2023 0.02701252236135957 2024 0.39695885509838996 2025 1.0 2026 0.6270125223613596 2027 0.0

Keywords

target 1.0 potential 0.3043814148548725 docking 0.2199536475002759 analysis 0.20847588566383402 visualization 0.16852444542544973 between 0.14667255269837767 novel 0.0967884339476879 promising 0.07935106500386271 binding 0.07493654122061583 energy 0.0746054519368723 cell 0.05948570797925174 activity 0.04613177353492992 stability 0.04050325571129015 performance 0.03366074384725748 including 0.022182982010815585 effective 0.017878821322149872 development 0.014567928484714712 interaction 0.013133208255159476 mechanism 0.012691755876834786 synthesized 0.01125703564727955 experimental 0.010815583268954862 strong 0.0066217856748703235 enhanced 0.006180333296545635 protein 0.005628517823639775 design 0.0
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