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Application

Discovery Studio 1.0 Materials Studio 0.9436542669584245 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05541386505912358 Amorphous Cell 0.2770693252956179 Blends 0.002318571759795966 CASTEP 0.3181080454440065 CDOCKER 0.1759795965685138 CHARMm 0.27683746811963833 COMPASS 0.3368884766983538 COMPASS III 0.10572687224669604 COSMObase 0.004173429167632739 COSMOconf 0.005100857871551124 COSMOmic 0.0 COSMOperm 2.3185717597959656E-4 COSMOplex 2.3185717597959656E-4 COSMOquick 9.274287039183863E-4 COSMOtherm 0.06283329469047066 Catalyst 0.08671458381636912 Classical Simulations 1.0 Conformers 4.637143519591931E-4 Crystallization 0.07141201020171574 DFTB Plus 0.004637143519591932 DMol3 0.14653373521910504 DPD 0.002318571759795966 Discover 0.003246000463714352 Forcite 0.5207512172501739 GULP 0.018084859726408532 Kinetix 2.3185717597959656E-4 LUDI 0.0034778576396939484 LibDock 0.07187572455367494 LigandFit 0.004173429167632739 MODELER 0.2633897519128217 MesoDyn 0.0 Mesocite 0.0030141432877347552 Mesoscale 0.005100857871551124 Modules 0.0 Morphology 0.016461859494551357 ONETEP 0.001159285879897983 Polymorph 0.002550428935775562 QMERA 2.3185717597959656E-4 QSAR 2.3185717597959656E-4 Quantum Mechanics 0.45675863667980526 Reflex 0.05124043589149084 Reflex Plus 9.274287039183863E-4 Semi-empirical 0.0060282865754695105 Sorption 0.059819151402735915 Synthia 0.001159285879897983 TURBOMOLE 2.3185717597959656E-4 VAMP 6.955715279387897E-4 Visualization 0.7326686760955251 X-Cell 0.001159285879897983 ZDOCK 0.028518432645490376

Year

2023 1.775883502042266E-4 2024 0.3979754928076718 2025 1.0 2026 0.6378973539335819 2027 0.0

Keywords

target 1.0 potential 0.3138775058145974 docking 0.2329161590430834 analysis 0.22184073540812937 visualization 0.1760992357957692 between 0.14553106656329604 novel 0.09857127035109092 promising 0.08749584671613689 binding 0.07863550780817366 energy 0.07365156717244435 cell 0.06324066895558755 activity 0.056152397829216966 stability 0.03987152508583453 performance 0.036770406468047405 including 0.025030457414996123 synthesized 0.021818584560859455 development 0.02104330490641267 effective 0.01816369476132462 mechanism 0.017388415106877837 interaction 0.013844279543692547 experimental 0.013068999889245763 enhanced 0.010078635507808173 strong 0.009635618562410013 protein 0.007642042308118285 synthesis 0.0
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