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Application

Discovery Studio 0.8713340351932621 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06855002025111381 Amorphous Cell 0.2872620494127177 Blends 0.002430133657351154 CASTEP 0.40319967598217904 CDOCKER 0.15481976508707979 CHARMm 0.23825435398946943 COMPASS 0.3734305386796274 COMPASS III 0.08363710004050223 COSMObase 0.003442689347914135 COSMOconf 0.00425273390036452 COSMOmic 2.025111381125962E-4 COSMOperm 0.0013163223977318752 COSMOplex 3.0376670716889426E-4 COSMOquick 0.0015188335358444715 COSMOtherm 0.06470230862697449 Cantera 0.0 Catalyst 0.10712839206156338 Classical Simulations 1.0 Conformers 8.100445524503848E-4 Crystallization 0.07594167679222358 DFTB Plus 0.005872823005265289 DMol3 0.1812474686107736 DPD 0.003037667071688943 Discover 0.0038477116241393276 Forcite 0.5515390846496557 GULP 0.02450384771162414 Kinetix 2.025111381125962E-4 LUDI 0.003442689347914135 LibDock 0.0637910085054678 LigandFit 0.005062778452814905 MCSS 4.050222762251924E-4 MODELER 0.18347509113001215 MesoDyn 0.001012555690562981 Mesocite 0.003948967193195626 Mesoscale 0.007087889833940867 Modules 0.0 Morphology 0.018023491292021063 ONETEP 0.0011138112596192791 Polymorph 0.00212636695018226 QMERA 2.025111381125962E-4 QSAR 0.0011138112596192791 Quantum Mechanics 0.5731065208586472 Reflex 0.05528554070473876 Reflex Plus 9.113001215066828E-4 Semi-empirical 0.007594167679222357 Sorption 0.05639935196435804 Synthia 0.0013163223977318752 TURBOMOLE 5.062778452814905E-4 VAMP 0.0013163223977318752 Visualization 0.7496962332928311 X-Cell 0.0014175779667881733 ZDOCK 0.026832725799918994

Year

2022 0.09850261591196104 2023 0.2403030849720368 2024 0.6965542125202959 2025 1.0 2026 0.3833664080822659 2027 0.0

Keywords

target 1.0 potential 0.2725900169282152 docking 0.19655030425035458 analysis 0.19019078556068994 visualization 0.17870705037287826 between 0.15807292858123256 novel 0.09676533833554468 energy 0.09585029967516127 cell 0.06679782220798829 binding 0.06231413277210962 promising 0.05970627259001693 activity 0.04424211922953745 stability 0.03884339113327538 performance 0.03669305028137439 experimental 0.031751841515304025 interaction 0.0305622912568056 synthesized 0.027176648213387014 effective 0.021183144987875737 mechanism 0.020542617925607357 including 0.016333440087843713 development 0.01596742462369035 synthesis 0.00736606121608638 protein 0.005169968431166217 design 0.0010065425264217413 chemical 0.0
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