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Application

Discovery Studio 1.0 Materials Studio 0.9413543721236028 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06439790575916231 Amorphous Cell 0.2732984293193717 Blends 0.0020942408376963353 CASTEP 0.35916230366492147 CDOCKER 0.17102966841186737 CHARMm 0.27853403141361255 COMPASS 0.34520069808027926 COMPASS III 0.08394415357766143 COSMObase 0.0033158813263525306 COSMOconf 0.00506108202443281 COSMOmic 0.0 COSMOperm 0.0010471204188481676 COSMOplex 1.7452006980802793E-4 COSMOquick 0.0012216404886561956 COSMOtherm 0.06108202443280977 Cantera 0.0 Catalyst 0.11989528795811519 Classical Simulations 1.0 Conformers 6.980802792321117E-4 Crystallization 0.07207678883071553 DFTB Plus 0.004013961605584642 DMol3 0.15898778359511342 DPD 0.0020942408376963353 Discover 0.0038394415357766143 Forcite 0.5218150087260035 GULP 0.02024432809773124 Kinetix 0.0 LUDI 0.0054101221640488655 LibDock 0.07260034904013962 LigandFit 0.005235602094240838 MCSS 8.726003490401396E-4 MODELER 0.21413612565445025 MesoDyn 8.726003490401396E-4 Mesocite 0.0038394415357766143 Mesoscale 0.0062827225130890054 Morphology 0.01780104712041885 ONETEP 0.0010471204188481676 Polymorph 0.0013961605584642235 QMERA 0.0 QSAR 8.726003490401396E-4 Quantum Mechanics 0.5089005235602094 Reflex 0.05218150087260035 Reflex Plus 3.4904013961605586E-4 Semi-empirical 0.005759162303664921 Sorption 0.0525305410122164 Synthia 5.235602094240838E-4 TURBOMOLE 5.235602094240838E-4 VAMP 0.0013961605584642235 Visualization 0.8137870855148343 X-Cell 0.0015706806282722514 ZDOCK 0.0300174520069808

Year

2022 0.033044958161962845 2023 0.28719330591405473 2024 0.46036023259112185 2025 1.0 2026 0.4610693518649837 2027 0.0

Keywords

target 1.0 potential 0.30087390761548066 docking 0.23774968789013734 analysis 0.20388576779026218 visualization 0.20388576779026218 between 0.14942259675405742 novel 0.10635143570536829 binding 0.08442571785268414 energy 0.079041822721598 promising 0.06858614232209738 cell 0.062109862671660424 activity 0.05813046192259676 stability 0.041822721598002495 interaction 0.03245942571785269 performance 0.027933832709113607 synthesized 0.02769975031210986 protein 0.025749063670411985 including 0.025046816479400748 effective 0.023252184769038703 experimental 0.023174157303370788 development 0.022862047440699126 mechanism 0.021613607990012485 synthesis 0.01373283395755306 design 0.005774032459425718 strong 0.0
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