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Application

Discovery Studio 1.0 Materials Studio 0.993251369771482 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06726057906458797 Amorphous Cell 0.27438752783964365 Blends 0.0030289532293986637 CASTEP 0.4008017817371938 CDOCKER 0.17461024498886416 CHARMm 0.2598663697104677 COMPASS 0.3680178173719376 COMPASS III 0.07732739420935412 COSMObase 0.0031180400890868597 COSMOconf 0.0036525612472160358 COSMOmic 2.6726057906458796E-4 COSMOperm 0.0012472160356347438 COSMOplex 2.6726057906458796E-4 COSMOquick 0.0016926503340757239 COSMOtherm 0.0620935412026726 Cantera 0.0 Catalyst 0.11233853006681514 Classical Simulations 1.0 Conformers 0.0013363028953229399 Crystallization 0.0756347438752784 DFTB Plus 0.005077951002227171 DMol3 0.18369710467706013 DPD 0.0028507795100222717 Discover 0.004632516703786191 Forcite 0.5351447661469934 GULP 0.025478841870824054 Kinetix 2.6726057906458796E-4 LUDI 0.005434298440979955 LibDock 0.07028953229398664 LigandFit 0.0074832962138084635 MCSS 0.0011581291759465478 MODELER 0.20329621380846324 MesoDyn 0.0011581291759465478 Mesocite 0.003919821826280623 Mesoscale 0.0071269487750556795 Modules 0.0 Morphology 0.01755011135857461 ONETEP 0.0015144766146993319 Polymorph 0.0018708240534521159 QMERA 1.7817371937639198E-4 QSAR 0.0011581291759465478 Quantum Mechanics 0.5726503340757239 Reflex 0.05576837416481069 Reflex Plus 8.908685968819599E-4 Semi-empirical 0.0068596881959910915 Sorption 0.055322939866369714 Synthia 0.0010690423162583518 TURBOMOLE 4.4543429844097997E-4 VAMP 0.0014253897550111359 Visualization 0.8472160356347439 X-Cell 0.0012472160356347438 ZDOCK 0.029755011135857462

Year

2020 0.06044701836937834 2021 0.1374536241064157 2022 0.15672789792778935 2023 0.3910958284318161 2024 0.7573070310379151 2025 1.0 2026 0.38467107049135824 2027 0.0

Keywords

target 1.0 potential 0.2648228903679902 docking 0.21287583199449162 visualization 0.20407772932445872 analysis 0.18196771478846302 between 0.1527044602555275 novel 0.10014535995715707 energy 0.08331420702318108 binding 0.06958151633386887 cell 0.058526509065871014 activity 0.0527121107795884 promising 0.04988141687705608 interaction 0.03756407313901002 stability 0.027924412822278324 synthesized 0.0267768342131436 experimental 0.025131971540050493 performance 0.01916456277254992 mechanism 0.018973299671027465 effective 0.01729018437762987 protein 0.01637212149032209 development 0.015683574324841253 synthesis 0.010557723204039476 including 0.009027618391859843 design 6.120419248718537E-4 chemical 0.0
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