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Application

Discovery Studio 1.0 Materials Studio 0.9210061411626146 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06440795559666974 Amorphous Cell 0.2713922294172063 Blends 0.0024283071230342275 CASTEP 0.37523126734505086 CDOCKER 0.17703515263644773 CHARMm 0.27705827937095284 COMPASS 0.34817298797409807 COMPASS III 0.08487511563367253 COSMObase 0.003584643848288622 COSMOconf 0.004625346901017576 COSMOmic 1.1563367252543941E-4 COSMOperm 0.0013876040703052729 COSMOplex 2.3126734505087883E-4 COSMOquick 0.0016188714153561516 COSMOtherm 0.06440795559666974 Cantera 0.0 Catalyst 0.12812210915818686 Classical Simulations 1.0 Conformers 6.938020351526364E-4 Crystallization 0.07192414431082331 DFTB Plus 0.006012950971322849 DMol3 0.16766882516188714 DPD 0.0026595744680851063 Discover 0.003122109158186864 Forcite 0.5216234967622572 GULP 0.023011100832562442 Kinetix 2.3126734505087883E-4 LUDI 0.004047178538390379 LibDock 0.07574005550416281 LigandFit 0.005434782608695652 MCSS 5.78168362627197E-4 MODELER 0.20467160037002774 MesoDyn 0.0010407030527289547 Mesocite 0.003122109158186864 Mesoscale 0.006359851988899167 Modules 0.0 Morphology 0.017113783533765033 ONETEP 0.001156336725254394 Polymorph 0.00196577243293247 QMERA 0.0 QSAR 0.001156336725254394 Quantum Mechanics 0.5316836262719704 Reflex 0.05215078630897317 Reflex Plus 9.250693802035153E-4 Semi-empirical 0.00786308973172988 Sorption 0.05596669750231267 Synthia 0.0016188714153561516 TURBOMOLE 5.78168362627197E-4 VAMP 0.0016188714153561516 Visualization 0.8640148011100832 X-Cell 0.0013876040703052729 ZDOCK 0.030527289546716005

Year

2022 0.04739336492890995 2023 0.3319394108354242 2024 0.5739243564724468 2025 1.0 2026 0.32496979834587864 2027 0.0

Keywords

target 1.0 potential 0.27587338804220396 docking 0.2237749120750293 visualization 0.20098475967174678 analysis 0.18490035169988275 between 0.14311840562719813 novel 0.10147713950762016 binding 0.07587338804220399 energy 0.07456037514654162 promising 0.06035169988276671 activity 0.05763188745603751 cell 0.05669402110199297 interaction 0.03507620164126612 stability 0.03413833528722157 synthesized 0.03085580304806565 protein 0.024572098475967176 experimental 0.02447831184056272 development 0.021805392731535755 performance 0.021101992966002344 effective 0.01955451348182884 mechanism 0.01810082063305979 including 0.01805392731535756 synthesis 0.017303634232121924 design 0.002672919109026964 compound 0.0
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