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Application

Discovery Studio 1.0 Materials Studio 0.9428819632967749 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06736131493982976 Amorphous Cell 0.2729674200176108 Blends 0.002348106838861168 CASTEP 0.37466979747578516 CDOCKER 0.17830936307601997 CHARMm 0.27443498679189904 COMPASS 0.3528030525388905 COMPASS III 0.07822130906956266 COSMObase 0.0029351335485764602 COSMOconf 0.004255943645435867 COSMOmic 2.93513354857646E-4 COSMOperm 0.001174053419430584 COSMOplex 2.93513354857646E-4 COSMOquick 0.0013208100968594072 COSMOtherm 0.06105077781039037 Cantera 0.0 Catalyst 0.12210155562078075 Classical Simulations 1.0 Conformers 0.0013208100968594072 Crystallization 0.0739653654241268 DFTB Plus 0.0039624302905782215 DMol3 0.16891693572057528 DPD 0.002494863516289991 Discover 0.0038156736131493983 Forcite 0.5264162019371882 GULP 0.022747285001467568 Kinetix 1.46756677428823E-4 LUDI 0.006017023774581743 LibDock 0.07308482535955386 LigandFit 0.006604050484297036 MCSS 0.001174053419430584 MODELER 0.19914881127091283 MesoDyn 0.0014675667742882301 Mesocite 0.0039624302905782215 Mesoscale 0.007191077194012328 Morphology 0.016877017904314645 ONETEP 0.001027296742001761 Polymorph 0.0013208100968594072 QMERA 1.46756677428823E-4 QSAR 7.337833871441151E-4 Quantum Mechanics 0.533167009098914 Reflex 0.05518051071323745 Reflex Plus 2.93513354857646E-4 Semi-empirical 0.005576753742295274 Sorption 0.05283240387437629 Synthia 5.87026709715292E-4 TURBOMOLE 5.87026709715292E-4 VAMP 0.001174053419430584 Visualization 0.8447314352803053 X-Cell 0.0013208100968594072 ZDOCK 0.03023187555033754

Year

2021 0.02173606210303458 2022 0.22695836273817926 2023 0.30444601270289345 2024 0.6870853916725477 2025 1.0 2026 0.45885673959068457 2027 0.0

Keywords

target 1.0 potential 0.28453779366700716 docking 0.23072012257405516 visualization 0.2095888661899898 analysis 0.19413942798774259 between 0.1502808988764045 novel 0.10610316649642493 binding 0.08209908069458631 energy 0.07941777323799795 cell 0.06090398365679264 promising 0.05783963227783453 activity 0.05739274770173647 interaction 0.03734678243105209 stability 0.03696373850868233 synthesized 0.027834525025536263 experimental 0.02445097037793667 protein 0.02368488253319714 effective 0.023429519918283962 mechanism 0.02234422880490296 performance 0.022216547497446375 including 0.01940755873340143 development 0.018832992849846783 synthesis 0.015194075587334014 design 0.004149642492339121 chemical 0.0
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