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Application

Discovery Studio 1.0 Materials Studio 0.9784111661883642 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0678996036988111 Amorphous Cell 0.27380008806693085 Blends 0.002994275649493615 CASTEP 0.4013210039630119 CDOCKER 0.1768383971818582 CHARMm 0.2628797886393659 COMPASS 0.3673271686481726 COMPASS III 0.0774108322324967 COSMObase 0.003170409511228534 COSMOconf 0.00361074416556583 COSMOmic 2.642007926023778E-4 COSMOperm 0.0012329370321444298 COSMOplex 2.642007926023778E-4 COSMOquick 0.0016732716864817261 COSMOtherm 0.06164685160722149 Cantera 0.0 Catalyst 0.11510347864376927 Classical Simulations 1.0 Conformers 0.0010568031704095112 Crystallization 0.07476882430647291 DFTB Plus 0.005372082782915015 DMol3 0.18256274768824307 DPD 0.0027300748568912375 Discover 0.004403346543372964 Forcite 0.5324526640246587 GULP 0.024922941435490974 Kinetix 2.642007926023778E-4 LUDI 0.005372082782915015 LibDock 0.07124614707177455 LigandFit 0.007573756054601497 MCSS 0.0011448701012769704 MODELER 0.20246587406428887 MesoDyn 0.0012329370321444298 Mesocite 0.00361074416556583 Mesoscale 0.0067811536767943634 Modules 0.0 Morphology 0.017084984588287097 ONETEP 0.0014971378247468075 Polymorph 0.0017613386173491853 QMERA 1.7613386173491853E-4 QSAR 0.0011448701012769704 Quantum Mechanics 0.5717305151915456 Reflex 0.05548216644649934 Reflex Plus 7.926023778071334E-4 Semi-empirical 0.007133421400264201 Sorption 0.05565830030823426 Synthia 0.0011448701012769704 TURBOMOLE 4.4033465433729633E-4 VAMP 0.0014090708938793483 Visualization 0.8605019815059445 X-Cell 0.001321003963011889 ZDOCK 0.029942756494936152

Year

2020 0.059472934472934474 2021 0.135238603988604 2022 0.15429131054131054 2023 0.3906695156695157 2024 0.7686075498575499 2025 1.0 2026 0.3784722222222222 2027 0.0

Keywords

target 1.0 potential 0.26610475617098134 docking 0.21587146297411197 visualization 0.2079319686935581 analysis 0.18249548464780252 between 0.15299518362432268 novel 0.10118151715833835 energy 0.08285671282360024 binding 0.07062763395544852 cell 0.057947019867549666 activity 0.05309301625526791 promising 0.05008278145695364 interaction 0.037928958458759786 stability 0.027919927754364842 synthesized 0.026527694160144492 experimental 0.025135460565924143 mechanism 0.018738711619506323 protein 0.01813666465984347 effective 0.017948524984948824 performance 0.0179108970499699 development 0.016180012040939194 synthesis 0.010874473208910294 including 0.009105960264900662 design 6.773028296207104E-4 chemical 0.0
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