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Application

Discovery Studio 1.0 Materials Studio 0.6561793131811638 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0641399416909621 Amorphous Cell 0.23469387755102042 Blends 0.002551020408163265 CASTEP 0.35131195335276966 CDOCKER 0.21720116618075802 CHARMm 0.34839650145772594 COMPASS 0.35823615160349853 COMPASS III 0.03899416909620991 COSMObase 0.0010932944606413995 COSMOconf 7.288629737609329E-4 COSMOperm 0.0014577259475218659 COSMOplex 0.0 COSMOquick 3.6443148688046647E-4 COSMOtherm 0.047376093294460644 Catalyst 0.14650145772594753 Classical Simulations 0.9974489795918368 Conformers 7.288629737609329E-4 Crystallization 0.07397959183673469 DFTB Plus 0.006559766763848397 DMol3 0.16581632653061223 DPD 0.0036443148688046646 Discover 0.0032798833819241984 Forcite 0.4478862973760933 GULP 0.03134110787172012 Kinetix 0.0 LUDI 0.0036443148688046646 LibDock 0.09256559766763849 LigandFit 0.006559766763848397 MCSS 0.0010932944606413995 MODELER 0.32908163265306123 MesoDyn 0.0032798833819241984 Mesocite 0.005466472303206997 Mesoscale 0.010568513119533527 Morphology 0.017857142857142856 ONETEP 3.6443148688046647E-4 Polymorph 0.0014577259475218659 QMERA 0.0 QSAR 7.288629737609329E-4 Quantum Mechanics 0.5094752186588921 Reflex 0.05466472303206997 Semi-empirical 0.009475218658892129 Sorption 0.04081632653061224 Synthia 0.002186588921282799 TURBOMOLE 7.288629737609329E-4 VAMP 0.002186588921282799 Visualization 1.0 X-Cell 3.6443148688046647E-4 ZDOCK 0.03644314868804665

Year

2024 0.0

Keywords

target 1.0 potential 0.30805416963649324 docking 0.27769066286528865 visualization 0.21468282252316465 analysis 0.201568068424804 between 0.13570919458303635 novel 0.100784034212402 binding 0.09151817533856023 activity 0.06785459729151817 protein 0.04119743406985032 promising 0.04019957234497505 interaction 0.03791874554526016 energy 0.0323592302209551 cell 0.024946543121881683 synthesized 0.015823235923022094 stability 0.0135424091233072 synthesis 0.012116892373485389 effective 0.008980755523877405 development 0.008125445473984319 including 0.00541696364932288 mechanism 0.0042765502494654314 vitro 0.00270848182466144 silico 0.0024233784746970776 experimental 0.0012829650748396293 compound 0.0
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