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Application

Discovery Studio 0.9961797148237826 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06774006382361474 Amorphous Cell 0.26762402088772846 Antibody 2.175805047867711E-4 Blends 0.0030461270670147957 CASTEP 0.42841601392515233 CDOCKER 0.18624891209747607 CHARMm 0.2708152016246011 COMPASS 0.36785610675950103 COMPASS III 0.06527415143603134 COSMObase 0.0027560197272991005 COSMOconf 0.0033362344067304904 COSMOmic 1.450536698578474E-4 COSMOperm 0.0012329561937917028 COSMOplex 4.351610095735422E-4 COSMOquick 0.0013780098636495502 COSMOtherm 0.06657963446475196 Cantera 7.25268349289237E-5 Catalyst 0.14737452857557296 Classical Simulations 1.0 Conformers 0.001450536698578474 Crystallization 0.0740498984624311 DFTB Plus 0.006382361473745286 DMol3 0.20147954743255003 DPD 0.0036988685813751088 Discover 0.007180156657963447 Forcite 0.5136350449666377 GULP 0.0278503046127067 Kinetix 1.450536698578474E-4 LUDI 0.006890049318247752 LibDock 0.072236727589208 LigandFit 0.012257035102988105 MCSS 0.0017406440382941688 MODELER 0.23433420365535249 MesoDyn 0.0019582245430809398 Mesocite 0.004786771105308964 Mesoscale 0.008703220191470844 Modules 0.0 Morphology 0.017914128227444155 ONETEP 0.0015955903684363214 Polymorph 0.0023208587177255585 QMERA 3.626341746446185E-4 QSAR 0.0015955903684363214 Quantum Mechanics 0.6168407310704961 Reflex 0.05366985784740354 Reflex Plus 9.428488540760081E-4 Semi-empirical 0.00921090803597331 Sorption 0.05200174064403829 Synthia 0.0015230635335073978 TURBOMOLE 5.076878445024659E-4 VAMP 0.0023208587177255585 Visualization 0.8249202204815782 X-Cell 0.0012329561937917028 ZDOCK 0.03191180736872643

Year

2015 0.0 2016 0.032835544012614785 2017 0.07717280400704944 2018 0.09090065856599573 2019 0.10249513032186254 2020 0.11473889249605788 2021 0.16260087190427605 2022 0.400333920786569 2023 0.5498562285502272 2024 0.7760875614507003 2025 1.0 2026 0.39513959743994065 2027 9.275577404693442E-4

Keywords

target 1.0 potential 0.232763089683774 docking 0.19248010246089103 visualization 0.18601530814503095 analysis 0.16152837495807032 between 0.1497880645259659 novel 0.09416643795932059 energy 0.07623578202665203 binding 0.06202543225688409 cell 0.05147440002439545 activity 0.05132192846034215 promising 0.035556368737230504 interaction 0.032811880584271036 experimental 0.0293355289238557 synthesized 0.02445643887414997 protein 0.014850730338791815 mechanism 0.014606775836306528 stability 0.01280761138047754 development 0.009148293843198244 synthesis 0.00600737962370018 performance 0.004269203793492514 effective 0.002744488152959473 design 0.0017686701430183272 chemical 0.0015247156405330405 including 0.0
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