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Application

Discovery Studio 1.0 Materials Studio 0.6503800217155266 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.082010582010582 Amorphous Cell 0.308994708994709 Blends 0.00582010582010582 CASTEP 0.15555555555555556 CDOCKER 0.1761904761904762 CHARMm 0.31587301587301586 COMPASS 0.37671957671957673 COMPASS III 0.06878306878306878 COSMObase 0.0015873015873015873 COSMOconf 0.0031746031746031746 COSMOmic 5.291005291005291E-4 COSMOperm 5.291005291005291E-4 COSMOplex 0.0 COSMOquick 0.0010582010582010583 COSMOtherm 0.05185185185185185 Catalyst 0.09312169312169312 Classical Simulations 1.0 Conformers 5.291005291005291E-4 Crystallization 0.0380952380952381 DFTB Plus 0.009523809523809525 DMol3 0.15555555555555556 DPD 0.0031746031746031746 Discover 0.004761904761904762 Forcite 0.5206349206349207 GULP 0.01164021164021164 LUDI 0.005291005291005291 LibDock 0.07566137566137567 LigandFit 0.003703703703703704 MCSS 0.0 MODELER 0.24497354497354498 MesoDyn 5.291005291005291E-4 Mesocite 0.00582010582010582 Mesoscale 0.007407407407407408 Morphology 0.015343915343915344 ONETEP 0.0015873015873015873 Polymorph 5.291005291005291E-4 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.29735449735449737 Reflex 0.021693121693121695 Reflex Plus 0.0 Semi-empirical 0.01164021164021164 Sorption 0.04867724867724868 Synthia 0.0010582010582010583 TURBOMOLE 0.0 VAMP 0.0010582010582010583 Visualization 0.8513227513227514 X-Cell 0.0 ZDOCK 0.050793650793650794

Year

2020 0.0030807147258163892 2021 0.1897720271102896 2022 0.21256931608133087 2023 0.4288354898336414 2024 0.9106592729513248 2025 1.0 2026 0.24707332101047444 2027 0.0

Keywords

interaction 1.0 target 0.9498667958343424 between 0.4177767013804795 docking 0.33446355049648824 potential 0.29304916444659723 analysis 0.2613223540808913 visualization 0.2148219907968031 binding 0.2046500363284088 energy 0.11286025672075563 mechanism 0.09130540082344393 protein 0.08379752966820053 cell 0.07168806006296924 novel 0.06054734802615645 stability 0.04771131024461129 activity 0.037297166384112374 experimental 0.028578348268345845 drug 0.025672075563090337 including 0.018406393799951563 strong 0.017195446839428433 complex 0.016468878663114556 effective 0.016468878663114556 promising 0.012836037781545169 development 0.007992249939452653 silico 0.0036328408815693874 role 0.0
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