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Application

Discovery Studio 1.0 Materials Studio 0.9741624428235875 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06774139659204811 Amorphous Cell 0.2784831272970264 Blends 0.002505846976277982 CASTEP 0.39876378215836955 CDOCKER 0.17499164717674573 CHARMm 0.26094219846308053 COMPASS 0.36577013030404276 COMPASS III 0.07734714333444705 COSMObase 0.0031740728366187773 COSMOconf 0.0035917139993317743 COSMOmic 2.505846976277982E-4 COSMOperm 0.0014199799532241897 COSMOplex 3.341129301703976E-4 COSMOquick 0.0014199799532241897 COSMOtherm 0.06356498496491814 Cantera 0.0 Catalyst 0.12763113932509187 Classical Simulations 1.0 Conformers 0.0010023387905111927 Crystallization 0.07425659873037087 DFTB Plus 0.005763448045439359 DMol3 0.1802539258269295 DPD 0.0031740728366187773 Discover 0.003758770464416973 Forcite 0.5322418977614434 GULP 0.025810223855663214 Kinetix 2.505846976277982E-4 LUDI 0.005011693952555964 LibDock 0.07158369528900768 LigandFit 0.006682258603407952 MCSS 0.0010023387905111927 MODELER 0.18284330103575008 MesoDyn 0.001670564650851988 Mesocite 0.004092883394587371 Mesoscale 0.007851653859004343 Modules 0.0 Morphology 0.017290344136318074 ONETEP 0.0010023387905111927 Polymorph 0.001921149348479786 QMERA 2.505846976277982E-4 QSAR 0.001085867023053792 Quantum Mechanics 0.5677413965920481 Reflex 0.054627464082860004 Reflex Plus 7.517540928833945E-4 Semi-empirical 0.007684597393919144 Sorption 0.05437687938523221 Synthia 0.0014199799532241897 TURBOMOLE 5.846976277981958E-4 VAMP 0.001503508185766789 Visualization 0.8732041430003341 X-Cell 0.0011693952555963916 ZDOCK 0.029736050785165388

Year

2021 0.06948825797406238 2022 0.28040658955485454 2023 0.3785488958990536 2024 0.8982649842271293 2025 1.0 2026 0.3725026288117771 2027 0.0

Keywords

target 1.0 potential 0.26919252893970597 docking 0.22118457495916483 visualization 0.21269796179248632 analysis 0.18397130885590512 between 0.1513386833321497 novel 0.10215893757545629 energy 0.08280661884809318 binding 0.072757616646545 cell 0.06018748668418436 activity 0.05361835096939138 promising 0.04882465733967758 interaction 0.03916625239684682 synthesized 0.030821674596974647 stability 0.030608621546765146 experimental 0.028513599886371706 protein 0.020701654712023294 performance 0.019565371777572615 mechanism 0.01881968610183936 effective 0.01874866841843619 development 0.01789645621759818 synthesis 0.013777430580214474 including 0.012037497336836872 design 7.456856757332576E-4 chemical 0.0
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