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Application

Discovery Studio 1.0 Materials Studio 0.9426502250929731 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05869297163995068 Amorphous Cell 0.27053020961775587 Blends 0.0022194821208384712 CASTEP 0.3159062885326757 CDOCKER 0.17706535141800248 CHARMm 0.2845869297163995 COMPASS 0.33020961775585694 COMPASS III 0.10628853267570901 COSMObase 0.00468557336621455 COSMOconf 0.005672009864364982 COSMOmic 0.0 COSMOperm 4.932182490752158E-4 COSMOplex 2.466091245376079E-4 COSMOquick 7.398273736128237E-4 COSMOtherm 0.06387176325524044 Catalyst 0.07965474722564735 Classical Simulations 1.0 Conformers 4.932182490752158E-4 Crystallization 0.0717632552404439 DFTB Plus 0.0034525277435265103 DMol3 0.14599260172626388 DPD 0.0027127003699136867 Discover 0.003945745992601726 Forcite 0.5114673242909987 GULP 0.017016029593094943 Kinetix 2.466091245376079E-4 LUDI 0.004192355117139334 LibDock 0.07299630086313194 LigandFit 0.003945745992601726 MODELER 0.2636251541307028 MesoDyn 2.466091245376079E-4 Mesocite 0.0032059186189889025 Mesoscale 0.00591861898890259 Modules 0.0 Morphology 0.016769420468557335 ONETEP 9.864364981504315E-4 Polymorph 0.0022194821208384712 QMERA 2.466091245376079E-4 QSAR 4.932182490752158E-4 Quantum Mechanics 0.45351418002466093 Reflex 0.05154130702836005 Reflex Plus 7.398273736128237E-4 Semi-empirical 0.00468557336621455 Sorption 0.05598027127003699 Synthia 0.0012330456226880395 TURBOMOLE 0.0 VAMP 4.932182490752158E-4 Visualization 0.7159062885326757 X-Cell 0.0014796547472256474 ZDOCK 0.029593094944512947

Year

2024 0.35928384630858984 2025 1.0 2026 0.7948098974049487 2027 0.0

Keywords

target 1.0 potential 0.3164189923885466 docking 0.23655913978494625 analysis 0.22459828440256133 visualization 0.1705932101002779 between 0.14111393016793525 novel 0.09327050863839556 promising 0.09073335749667755 binding 0.07998066932463453 energy 0.06777818050018122 cell 0.059200193306753655 activity 0.052434456928838954 stability 0.042165035640932706 performance 0.033707865168539325 including 0.02223027667029117 effective 0.018847408481333816 synthesized 0.01715597438685514 development 0.01691434094478676 strong 0.014377189803068745 enhanced 0.011960855382384922 mechanism 0.010752688172043012 experimental 0.008940437356530143 interaction 0.007249003262051468 protein 0.003624501631025734 strategy 0.0
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