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Application

Discovery Studio 0.9988342076775751 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06580366774541532 Amorphous Cell 0.27691477885652643 Blends 0.0024811218985976266 CASTEP 0.3818770226537217 CDOCKER 0.16526429341963322 CHARMm 0.26030204962243797 COMPASS 0.35577130528586837 COMPASS III 0.08673139158576051 COSMObase 0.0037756202804746495 COSMOconf 0.004530744336569579 COSMOmic 1.0787486515641856E-4 COSMOperm 0.0012944983818770227 COSMOplex 2.157497303128371E-4 COSMOquick 0.0015102481121898597 COSMOtherm 0.06386192017259978 Cantera 0.0 Catalyst 0.11909385113268608 Classical Simulations 1.0 Conformers 6.472491909385113E-4 Crystallization 0.07281553398058252 DFTB Plus 0.005717367853290183 DMol3 0.1714131607335491 DPD 0.0024811218985976266 Discover 0.003344120819848975 Forcite 0.5331175836030205 GULP 0.02330097087378641 Kinetix 2.157497303128371E-4 LUDI 0.0037756202804746495 LibDock 0.070873786407767 LigandFit 0.005070118662351672 MCSS 5.393743257820927E-4 MODELER 0.19730312837108954 MesoDyn 9.70873786407767E-4 Mesocite 0.003451995685005394 Mesoscale 0.006472491909385114 Modules 0.0 Morphology 0.01704422869471413 ONETEP 0.0010787486515641855 Polymorph 0.0020496224379719526 QMERA 1.0787486515641856E-4 QSAR 0.0010787486515641855 Quantum Mechanics 0.541747572815534 Reflex 0.05307443365695793 Reflex Plus 9.70873786407767E-4 Semi-empirical 0.007551240560949299 Sorption 0.05674217907227616 Synthia 0.0015102481121898597 TURBOMOLE 5.393743257820927E-4 VAMP 0.0015102481121898597 Visualization 0.8208198489751888 X-Cell 0.0014023732470334412 ZDOCK 0.028586839266450916

Year

2022 0.028558718861209965 2023 0.32419928825622774 2024 0.5636120996441281 2025 1.0 2026 0.3781138790035587 2027 0.0

Keywords

target 1.0 potential 0.2891107941036614 docking 0.2256300523062292 visualization 0.20461245839277223 analysis 0.1990489776509748 between 0.15611031859248692 novel 0.10461245839277224 energy 0.08830242510699002 binding 0.07503566333808845 promising 0.0659058487874465 cell 0.06433666191155492 activity 0.056157869709938184 stability 0.040370898716119825 interaction 0.037517831669044224 synthesized 0.032144555397051834 performance 0.03209700427960057 experimental 0.030718021873514027 development 0.02306229196386115 effective 0.02211126961483595 mechanism 0.021968616262482168 including 0.020684736091298145 protein 0.020114122681883024 synthesis 0.015216357584403234 design 0.005135520684736091 chemical 0.0
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