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Application

Discovery Studio 0.9743401759530792 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.062261753494282084 Amorphous Cell 0.282991468506081 Blends 0.002178253766563805 CASTEP 0.3398075875839535 CDOCKER 0.16591032855327645 CHARMm 0.26229805772372483 COMPASS 0.3414412779088764 COMPASS III 0.10419313850063533 COSMObase 0.004538028680341259 COSMOconf 0.005990197858050463 COSMOmic 0.0 COSMOperm 3.630422944273008E-4 COSMOplex 1.815211472136504E-4 COSMOquick 0.0010891268832819024 COSMOtherm 0.06462152840805954 Catalyst 0.08241060083499728 Classical Simulations 1.0 Conformers 3.630422944273008E-4 Crystallization 0.07079324741332366 DFTB Plus 0.0039934652387003085 DMol3 0.15356689054274822 DPD 0.0019967326193501543 Discover 0.0036304229442730078 Forcite 0.5285895806861499 GULP 0.020330368487928845 Kinetix 1.815211472136504E-4 LUDI 0.0036304229442730078 LibDock 0.07006716282446905 LigandFit 0.0039934652387003085 MCSS 3.630422944273008E-4 MODELER 0.2503176620076239 MesoDyn 7.260845888546016E-4 Mesocite 0.0029043383554184063 Mesoscale 0.0054456344164095115 Modules 0.0 Morphology 0.016336903249228533 ONETEP 9.076057360682519E-4 Polymorph 0.0019967326193501543 QMERA 1.815211472136504E-4 QSAR 5.445634416409512E-4 Quantum Mechanics 0.4841168996188056 Reflex 0.05137048466146306 Reflex Plus 7.260845888546016E-4 Semi-empirical 0.005627155563623162 Sorption 0.05717916137229987 Synthia 0.0010891268832819024 TURBOMOLE 3.630422944273008E-4 VAMP 0.0010891268832819024 Visualization 0.7055726992194591 X-Cell 0.0014521691777092032 ZDOCK 0.029224904701397714

Year

2023 1.446340757882557E-4 2024 0.4884292739369395 2025 1.0 2026 0.6139716517211455 2027 0.0

Keywords

target 1.0 potential 0.299982674982675 docking 0.21353083853083854 analysis 0.21075883575883575 visualization 0.16346153846153846 between 0.1483021483021483 novel 0.09528759528759528 promising 0.07986832986832987 energy 0.0777027027027027 binding 0.06774081774081774 cell 0.062110187110187114 activity 0.04695079695079695 performance 0.038894663894663895 stability 0.037941787941787944 including 0.02027027027027027 effective 0.016025641025641024 experimental 0.01567914067914068 synthesized 0.015246015246015246 mechanism 0.015159390159390159 development 0.014466389466389467 interaction 0.010308385308385308 enhanced 0.008575883575883576 strong 0.003984753984753985 protein 0.0018191268191268192 design 0.0
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