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Application

Discovery Studio 0.9021389362104865 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06912561258705184 Amorphous Cell 0.28191900954346144 Blends 0.002665291032585332 CASTEP 0.416043332473562 CDOCKER 0.15905769065428596 CHARMm 0.24168171266443125 COMPASS 0.377353623936033 COMPASS III 0.07737941707505804 COSMObase 0.0031811538130857193 COSMOconf 0.003697016593586106 COSMOmic 2.5793139025019347E-4 COSMOperm 0.0012896569512509672 COSMOplex 4.2988565041698906E-4 COSMOquick 0.0017195426016679562 COSMOtherm 0.06534261886338234 Cantera 8.597713008339781E-5 Catalyst 0.10506405296191214 Classical Simulations 1.0 Conformers 0.0012036798211675695 Crystallization 0.07720746281489124 DFTB Plus 0.006104376235921245 DMol3 0.1930186570372281 DPD 0.0030091995529189235 Discover 0.005072650674920471 Forcite 0.5438053477774912 GULP 0.027340727366520507 Kinetix 2.5793139025019347E-4 LUDI 0.00472874215458688 LibDock 0.06603043590404953 LigandFit 0.00593242197575445 MCSS 0.0012896569512509672 MODELER 0.18811796062247443 MesoDyn 0.0018914968618347519 Mesocite 0.003954947983836299 Mesoscale 0.007651964577422406 Modules 0.0 Morphology 0.018313128707763734 ONETEP 0.0012896569512509672 Polymorph 0.0020634511220015478 QMERA 4.2988565041698906E-4 QSAR 0.0012896569512509672 Quantum Mechanics 0.5959934657381136 Reflex 0.05665892872495916 Reflex Plus 8.597713008339781E-4 Semi-empirical 0.008511735878256384 Sorption 0.05820651706646032 Synthia 0.0016335654715845585 TURBOMOLE 6.878170406671825E-4 VAMP 0.0018055197317513542 Visualization 0.7988994927349325 X-Cell 0.0012896569512509672 ZDOCK 0.027426704496603903

Year

2020 0.020227111426543647 2021 0.13147622427253372 2022 0.1540099361249113 2023 0.43053584102200143 2024 0.7631298793470547 2025 1.0 2026 0.3771291696238467 2027 0.0

Keywords

target 1.0 potential 0.2584066802076281 docking 0.1960430301662529 visualization 0.19002482509591515 analysis 0.17603249830737983 between 0.1551944632513353 novel 0.09362070262544196 energy 0.08918227638606785 binding 0.059016023470999775 cell 0.05890318212593094 promising 0.0472052960204619 activity 0.04190175280222674 interaction 0.03287444519672008 experimental 0.031031369893929135 stability 0.027269991724968027 performance 0.02452418566162642 synthesized 0.023659068682765367 mechanism 0.016587677725118485 development 0.013465733844880765 effective 0.013390506281501542 protein 0.008876852478748214 including 0.008575942225231325 synthesis 0.0058301361618897166 chemical 1.5045512675844429E-4 design 0.0
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