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Application

Discovery Studio 1.0 Materials Studio 0.997052913596785 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06750979693623085 Amorphous Cell 0.2750267189169932 Blends 0.0026718916993231207 CASTEP 0.4014962593516209 CDOCKER 0.17153544709654436 CHARMm 0.25926255789098684 COMPASS 0.365603847524047 COMPASS III 0.07899893124332028 COSMObase 0.003206270039187745 COSMOconf 0.0038297114356964732 COSMOmic 2.6718916993231207E-4 COSMOperm 0.0013359458496615604 COSMOplex 2.6718916993231207E-4 COSMOquick 0.0015140719629497684 COSMOtherm 0.06252226576416102 Cantera 0.0 Catalyst 0.1239757748485928 Classical Simulations 1.0 Conformers 9.796936230851443E-4 Crystallization 0.07605985037406483 DFTB Plus 0.005432846455290345 DMol3 0.18186676166726043 DPD 0.002582828642679017 Discover 0.0038297114356964732 Forcite 0.5334877092981831 GULP 0.02502671891699323 Kinetix 2.6718916993231207E-4 LUDI 0.005076594228713929 LibDock 0.0708941930887068 LigandFit 0.006679729248307802 MCSS 8.906305664410402E-4 MODELER 0.1863199144994656 MesoDyn 0.0012468827930174563 Mesocite 0.0038297114356964732 Mesoscale 0.007035981474884218 Modules 0.0 Morphology 0.017367296045600285 ONETEP 0.0012468827930174563 Polymorph 0.0019593872461702885 QMERA 1.7812611328820805E-4 QSAR 0.0010687566797292483 Quantum Mechanics 0.5711613822586391 Reflex 0.05619878874242964 Reflex Plus 8.015675097969362E-4 Semi-empirical 0.007392233701460634 Sorption 0.05619878874242964 Synthia 0.0014250089063056644 TURBOMOLE 5.343783398646241E-4 VAMP 0.0016031350195938724 Visualization 0.8558959743498397 X-Cell 0.0012468827930174563 ZDOCK 0.02965799786248664

Year

2021 0.06822372464658881 2022 0.17789094740539116 2023 0.36974273421722714 2024 0.8138554745807358 2025 1.0 2026 0.3732548950741944 2027 0.0

Keywords

target 1.0 potential 0.2727446483180428 docking 0.21811926605504586 visualization 0.2084862385321101 analysis 0.1874617737003058 between 0.15298165137614678 novel 0.10068807339449541 energy 0.08497706422018349 binding 0.07140672782874617 cell 0.059250764525993885 activity 0.05301987767584098 promising 0.052025993883792046 interaction 0.038837920489296636 stability 0.032530581039755355 synthesized 0.0290519877675841 experimental 0.028134556574923548 performance 0.022477064220183487 mechanism 0.01930428134556575 effective 0.01918960244648318 protein 0.017469418960244648 development 0.017201834862385322 synthesis 0.013990825688073395 including 0.012652905198776758 design 0.0015290519877675841 chemical 0.0
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