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Application

Discovery Studio 0.8086844368013758 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06357615894039735 Amorphous Cell 0.23841059602649006 Blends 0.003973509933774834 CASTEP 0.6423841059602649 CDOCKER 0.11721854304635762 CHARMm 0.35960264900662253 COMPASS 0.2814569536423841 COMPASS III 0.0814569536423841 COSMOconf 0.0026490066225165563 COSMOmic 0.0 COSMOplex 0.0 COSMOquick 0.0033112582781456954 COSMOtherm 0.02781456953642384 Catalyst 0.11324503311258279 Classical Simulations 1.0 Conformers 0.0013245033112582781 Crystallization 0.06754966887417219 DFTB Plus 0.0033112582781456954 DMol3 0.23509933774834438 DPD 0.0033112582781456954 Discover 0.0013245033112582781 Forcite 0.44503311258278144 GULP 0.02052980132450331 Kinetix 0.0 LUDI 0.005298013245033113 LibDock 0.0390728476821192 LigandFit 0.001986754966887417 MODELER 0.21324503311258278 MesoDyn 0.0 Mesocite 0.003973509933774834 Mesoscale 0.005960264900662252 Morphology 0.013245033112582781 ONETEP 0.0 Polymorph 0.0033112582781456954 QSAR 6.622516556291391E-4 Quantum Mechanics 0.8629139072847682 Reflex 0.05033112582781457 Reflex Plus 6.622516556291391E-4 Semi-empirical 0.004635761589403974 Sorption 0.035099337748344374 Synthia 6.622516556291391E-4 VAMP 6.622516556291391E-4 Visualization 0.6728476821192053 X-Cell 0.0 ZDOCK 0.022516556291390728

Year

2022 0.013761467889908258 2023 0.23139653414882771 2024 0.5846075433231397 2025 1.0 2026 0.3853211009174312 2027 0.0

Keywords

stability 1.0 target 0.9221344949632453 potential 0.3438606044105636 analysis 0.2455758235774571 docking 0.21589980942009257 between 0.1557310100735094 energy 0.14865232779744078 promising 0.11298665940647971 binding 0.11189763136400763 visualization 0.09583446773754424 novel 0.09392866866321808 stable 0.07024230873945005 performance 0.04873400490062619 protein 0.04710046283691805 interaction 0.042744350667029675 strong 0.020963789817587803 including 0.014701878573373264 activity 0.012251565477811054 effective 0.012251565477811054 enhanced 0.011707051456575007 development 0.007078682276068609 drug 0.005445140212360468 complex 0.002722570106180234 experimental 0.0019057990743261638 cell 0.0
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