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Application

Discovery Studio 1.0 Materials Studio 0.9556524513453153 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06660095747676711 Amorphous Cell 0.27541537595043647 Blends 0.00211208110391439 CASTEP 0.3641227823148409 CDOCKER 0.17544353703182203 CHARMm 0.2727400732188116 COMPASS 0.35130949028442693 COMPASS III 0.08152633061109546 COSMObase 0.0033793297662630243 COSMOconf 0.00422416220782878 COSMOmic 1.40805406927626E-4 COSMOperm 9.856378484933823E-4 COSMOplex 1.40805406927626E-4 COSMOquick 0.0012672486623486342 COSMOtherm 0.05927907631653055 Cantera 0.0 Catalyst 0.11827654181920585 Classical Simulations 1.0 Conformers 9.856378484933823E-4 Crystallization 0.07321881160236553 DFTB Plus 0.00422416220782878 DMol3 0.16572796395381584 DPD 0.0023936919177696423 Discover 0.0038017459870459025 Forcite 0.5274570543508871 GULP 0.02196564348070966 Kinetix 1.40805406927626E-4 LUDI 0.006054632497887919 LibDock 0.0719515629400169 LigandFit 0.006336243311743171 MCSS 0.001126443255421008 MODELER 0.19811320754716982 MesoDyn 0.0012672486623486342 Mesocite 0.0038017459870459025 Mesoscale 0.006899464939453675 Morphology 0.016755843424387497 ONETEP 8.448324415657561E-4 Polymorph 0.0015488594762038863 QMERA 2.81610813855252E-4 QSAR 7.040270346381301E-4 Quantum Mechanics 0.5205575894114334 Reflex 0.05421008166713602 Reflex Plus 5.63221627710504E-4 Semi-empirical 0.006054632497887919 Sorption 0.05378766544635314 Synthia 5.63221627710504E-4 TURBOMOLE 5.63221627710504E-4 VAMP 0.0012672486623486342 Visualization 0.8218811602365531 X-Cell 0.0014080540692762602 ZDOCK 0.029850746268656716

Year

2021 0.0015961691939345571 2022 0.1931364724660814 2023 0.28664538441074755 2024 0.6130619845703644 2025 1.0 2026 0.517291832934291 2027 0.0

Keywords

target 1.0 potential 0.28927130610186585 docking 0.2312783661119516 visualization 0.20757690368129098 analysis 0.20057992939989913 between 0.14983610690872415 novel 0.10577407967725669 binding 0.08345940494200706 energy 0.08106404437720625 cell 0.06372919818456883 promising 0.06209026727181039 activity 0.05490418557740797 stability 0.03983862834089763 interaction 0.03567826525466465 synthesized 0.027861825516893597 performance 0.02685325264750378 effective 0.02439485627836611 experimental 0.023071104387291982 protein 0.022125567322239033 mechanism 0.02130610186585981 including 0.021053958648512356 development 0.01828038325769037 synthesis 0.013111447302067574 design 0.0057362581946545635 chemical 0.0
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