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Application

Discovery Studio 1.0 Materials Studio 0.977915619485589 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06774928356234844 Amorphous Cell 0.2756999044749798 Blends 0.0028657506062164744 CASTEP 0.4175178190903079 CDOCKER 0.1789257109265927 CHARMm 0.25946065103975313 COMPASS 0.37431111764273645 COMPASS III 0.07274597692703358 COSMObase 0.002792269821441693 COSMOconf 0.0032331545300903815 COSMOmic 2.2044235432434417E-4 COSMOperm 0.0012491733411712836 COSMOplex 2.939231390991256E-4 COSMOquick 0.001469615695495628 COSMOtherm 0.06385480196928503 Cantera 7.34807847747814E-5 Catalyst 0.12190462194136234 Classical Simulations 1.0 Conformers 0.0012491733411712836 Crystallization 0.0761995738114483 DFTB Plus 0.0060989051363068555 DMol3 0.1918583290469542 DPD 0.0030861929605408185 Discover 0.005070174149459916 Forcite 0.5310456315673452 GULP 0.026967448012344773 Kinetix 2.2044235432434417E-4 LUDI 0.00580498199720773 LibDock 0.0714968035858623 LigandFit 0.00793592475567639 MCSS 0.001469615695495628 MODELER 0.19310750238812552 MesoDyn 0.0017635388345947534 Mesocite 0.004261885516937321 Mesoscale 0.00793592475567639 Modules 0.0 Morphology 0.017635388345947536 ONETEP 0.0011756925563965023 Polymorph 0.0019105004041443162 QMERA 2.2044235432434417E-4 QSAR 0.0015430964802704093 Quantum Mechanics 0.5965904915864502 Reflex 0.05628628113748255 Reflex Plus 6.613270629730326E-4 Semi-empirical 0.008229847894775516 Sorption 0.05466970387243736 Synthia 0.0013961349107208464 TURBOMOLE 5.143654934234698E-4 VAMP 0.0017635388345947534 Visualization 0.8937467852156661 X-Cell 0.0011756925563965023 ZDOCK 0.030861929605408185

Year

2020 0.02481999152901313 2021 0.24235493434985175 2022 0.29335027530707325 2023 0.46437950021177465 2024 1.0 2025 0.9688267683185091 2026 0.36010165184243964 2027 0.0

Keywords

target 1.0 potential 0.25765892851666716 visualization 0.21307001134656076 docking 0.21273268116164248 analysis 0.17525836425526695 between 0.15023459781042042 novel 0.09825508295255911 energy 0.08031525039099635 binding 0.06728203870097213 cell 0.05510748566346714 activity 0.05047686221595265 promising 0.04081695237511117 interaction 0.03827164279800055 experimental 0.027017081173909045 synthesized 0.026127756140942683 stability 0.02309178447667822 protein 0.01809316446379834 mechanism 0.01594651783250023 development 0.014413198810144438 effective 0.013953203103437702 performance 0.01205188751571652 synthesis 0.011285228004538624 including 0.005243951056456806 chemical 0.0025759759575577296 design 0.0
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