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Application

Discovery Studio 1.0 Materials Studio 0.9658219406468823 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06540294867531316 Amorphous Cell 0.2761334663562798 Blends 0.0024387540184015078 CASTEP 0.37845028267376124 CDOCKER 0.16893914200199533 CHARMm 0.26770867974725643 COMPASS 0.35151313601596273 COMPASS III 0.08701917747478106 COSMObase 0.003879835938366035 COSMOconf 0.004544950670657355 COSMOmic 1.1085245538188671E-4 COSMOperm 0.0013302294645826404 COSMOplex 2.2170491076377343E-4 COSMOquick 0.0014410819199645272 COSMOtherm 0.06229907992462033 Cantera 0.0 Catalyst 0.12315707792927613 Classical Simulations 1.0 Conformers 6.651147322913202E-4 Crystallization 0.07105642389978938 DFTB Plus 0.005542622769094336 DMol3 0.16783061744817648 DPD 0.0024387540184015078 Discover 0.0033255736614566014 Forcite 0.5290987695377453 GULP 0.022503048442523002 Kinetix 2.2170491076377343E-4 LUDI 0.004323245759893582 LibDock 0.07127812881055315 LigandFit 0.005210065402948675 MCSS 5.542622769094336E-4 MODELER 0.20319255071499834 MesoDyn 8.868196430550937E-4 Mesocite 0.0032147212060747144 Mesoscale 0.006096885046003769 Modules 0.0 Morphology 0.017071278128810555 ONETEP 0.0011085245538188671 Polymorph 0.0019953441968739607 QMERA 1.1085245538188671E-4 QSAR 8.868196430550937E-4 Quantum Mechanics 0.5355282119498946 Reflex 0.05121383438643166 Reflex Plus 9.976720984369804E-4 Semi-empirical 0.00709455714444075 Sorption 0.056756457155526 Synthia 0.0012193770092007539 TURBOMOLE 5.542622769094336E-4 VAMP 0.0012193770092007539 Visualization 0.8384879725085911 X-Cell 0.0014410819199645272 ZDOCK 0.028821638399290545

Year

2022 0.015996425379803395 2023 0.3360142984807864 2024 0.5270777479892761 2025 1.0 2026 0.3798927613941019 2027 0.0

Keywords

target 1.0 potential 0.29222233038060935 docking 0.23235666309743988 visualization 0.2102112333300886 analysis 0.20140173269736203 between 0.15526136474252897 novel 0.10649274798014212 energy 0.086488854278205 binding 0.07928550569453909 promising 0.06750705733476102 cell 0.06448943833349557 activity 0.05908692689574613 stability 0.04039715759758591 interaction 0.03723352477367858 synthesized 0.032707096271780395 performance 0.030857587851649958 experimental 0.028278010318310134 protein 0.024043609461695706 development 0.023654239267984035 effective 0.02297284142898861 mechanism 0.021464031928355883 including 0.021366689379927965 synthesis 0.015088095006327266 design 0.0053538401635354815 chemical 0.0
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