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Application

Discovery Studio 1.0 Materials Studio 0.9865229110512129 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06894605273768245 Amorphous Cell 0.2746552697363116 Blends 0.00282235303604548 CASTEP 0.40416095476171277 CDOCKER 0.1745020562857834 CHARMm 0.2589307313926296 COMPASS 0.372066768808967 COMPASS III 0.07507459075880978 COSMObase 0.003064269010563664 COSMOconf 0.0034674623014273043 COSMOmic 2.4191597451818402E-4 COSMOperm 0.00120957987259092 COSMOplex 3.2255463269091205E-4 COSMOquick 0.00161277316345456 COSMOtherm 0.06289815337472784 Cantera 0.0 Catalyst 0.12176437384081928 Classical Simulations 1.0 Conformers 0.001048302556245464 Crystallization 0.07588097734053706 DFTB Plus 0.005483428755745505 DMol3 0.1859527457463108 DPD 0.0029029916942182083 Discover 0.004354487541327313 Forcite 0.5335053624707685 GULP 0.02588500927344569 Kinetix 2.4191597451818402E-4 LUDI 0.0050802354648818646 LibDock 0.0711232965083461 LigandFit 0.007338117893718249 MCSS 0.001128941214418192 MODELER 0.18546891379727443 MesoDyn 0.0013708571889363762 Mesocite 0.004112571566809128 Mesoscale 0.007338117893718249 Modules 0.0 Morphology 0.01741795016530925 ONETEP 0.0014514958471091041 Polymorph 0.0017740504798000162 QMERA 1.6127731634545602E-4 QSAR 0.0012902185307636482 Quantum Mechanics 0.5778566244657689 Reflex 0.056285783404564145 Reflex Plus 7.257479235545521E-4 Semi-empirical 0.007418756551890977 Sorption 0.055237480848318685 Synthia 0.0013708571889363762 TURBOMOLE 4.8383194903636804E-4 VAMP 0.00161277316345456 Visualization 0.8706555922909442 X-Cell 0.00120957987259092 ZDOCK 0.031045883396500284

Year

2020 0.02013657853265628 2021 0.1294869549991245 2022 0.24811766765890386 2023 0.4522850639117493 2024 0.8854841533881982 2025 1.0 2026 0.3721765014883558 2027 0.0

Keywords

target 1.0 potential 0.26307855699064714 docking 0.2149439857480558 visualization 0.21021617732707526 analysis 0.1791770872588989 between 0.1519407996162938 novel 0.09935249580321354 energy 0.08239405255404433 binding 0.06896433587995478 cell 0.05772722600979821 activity 0.05114940559799925 promising 0.04522251533111789 interaction 0.03816506218095858 stability 0.027613141937031075 synthesized 0.027202028161293638 experimental 0.02655109801637603 protein 0.018534379389496043 mechanism 0.01791770872588989 effective 0.01723251909966083 development 0.016101956216382884 performance 0.015999177772448525 synthesis 0.011956558977697077 including 0.008770427215731954 design 3.4259481311452945E-5 chemical 0.0
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