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Application

Discovery Studio 1.0 Materials Studio 0.9908466819221968 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06792792792792793 Amorphous Cell 0.2745945945945946 Blends 0.002882882882882883 CASTEP 0.4033333333333333 CDOCKER 0.17270270270270272 CHARMm 0.260990990990991 COMPASS 0.3674774774774775 COMPASS III 0.07873873873873874 COSMObase 0.003243243243243243 COSMOconf 0.0038738738738738738 COSMOmic 2.702702702702703E-4 COSMOperm 0.0013513513513513514 COSMOplex 2.702702702702703E-4 COSMOquick 0.0017117117117117118 COSMOtherm 0.06252252252252252 Cantera 0.0 Catalyst 0.12135135135135135 Classical Simulations 1.0 Conformers 9.90990990990991E-4 Crystallization 0.07558558558558559 DFTB Plus 0.005405405405405406 DMol3 0.18297297297297296 DPD 0.002882882882882883 Discover 0.004234234234234234 Forcite 0.532972972972973 GULP 0.024954954954954953 Kinetix 2.702702702702703E-4 LUDI 0.005045045045045045 LibDock 0.07081081081081081 LigandFit 0.006936936936936937 MCSS 9.90990990990991E-4 MODELER 0.19405405405405404 MesoDyn 0.0012612612612612612 Mesocite 0.0036936936936936937 Mesoscale 0.007027027027027027 Modules 0.0 Morphology 0.017117117117117116 ONETEP 0.0013513513513513514 Polymorph 0.0018918918918918919 QMERA 1.8018018018018018E-4 QSAR 0.0012612612612612612 Quantum Mechanics 0.5745045045045045 Reflex 0.055945945945945944 Reflex Plus 8.108108108108108E-4 Semi-empirical 0.007117117117117117 Sorption 0.056396396396396396 Synthia 0.0013513513513513514 TURBOMOLE 5.405405405405405E-4 VAMP 0.0013513513513513514 Visualization 0.8571171171171171 X-Cell 0.0013513513513513514 ZDOCK 0.02981981981981982

Year

2020 0.0 2021 0.11080650866643084 2022 0.15272373540856032 2023 0.3802617615847188 2024 0.7823664662186063 2025 1.0 2026 0.3763707110010612 2027 4.421648390519986E-4

Keywords

target 1.0 potential 0.2718180413963546 docking 0.21713778189681804 visualization 0.2076382452888477 analysis 0.18597466790237874 between 0.15326691380908247 novel 0.10047883843064566 energy 0.08329471733086191 binding 0.07124652455977758 cell 0.058348779734321905 promising 0.05232468334877973 activity 0.05228606734630831 interaction 0.037496138399752854 stability 0.03112449799196787 experimental 0.026760889712696943 synthesized 0.026336113685511277 performance 0.021277417361754713 effective 0.018960457213469263 mechanism 0.018381217176397898 protein 0.01706827309236948 development 0.016759345072598086 including 0.011546184738955823 synthesis 0.01143033673154155 design 0.0011198640716713006 chemical 0.0
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