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Application

Discovery Studio 1.0 Materials Studio 0.9161820047895998 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.062454960365121305 Amorphous Cell 0.27432140283449435 Blends 0.002522219553206822 CASTEP 0.38662022579870287 CDOCKER 0.18352149891904876 CHARMm 0.2725198174393466 COMPASS 0.35887581071342783 COMPASS III 0.08299303386980543 COSMObase 0.00360317079029546 COSMOconf 0.004083593562334855 COSMOmic 1.2010569300984866E-4 COSMOperm 0.0013211626231083354 COSMOplex 3.60317079029546E-4 COSMOquick 9.608455440787893E-4 COSMOtherm 0.06401633437424933 Cantera 0.0 Catalyst 0.11914484746576988 Classical Simulations 1.0 Conformers 6.005284650492434E-4 Crystallization 0.07338457842901754 DFTB Plus 0.006245496036512131 DMol3 0.17811674273360556 DPD 0.0030026423252462165 Discover 0.0044439106413644005 Forcite 0.5212587076627432 GULP 0.02438145568099928 Kinetix 2.4021138601969732E-4 LUDI 0.005284650492433342 LibDock 0.0762671150612539 LigandFit 0.00720634158059092 MCSS 0.001080951237088638 MODELER 0.21859236127792459 MesoDyn 0.001441268316118184 Mesocite 0.003843382176315157 Mesoscale 0.007326447273600769 Modules 0.0 Morphology 0.017415325486428056 ONETEP 8.407398510689407E-4 Polymorph 0.0022820081671871247 QMERA 2.4021138601969732E-4 QSAR 0.0012010569300984868 Quantum Mechanics 0.5533269276963728 Reflex 0.05320682200336296 Reflex Plus 8.407398510689407E-4 Semi-empirical 0.00816718712466971 Sorption 0.05392745616142205 Synthia 0.0019216910881575786 TURBOMOLE 3.60317079029546E-4 VAMP 0.001441268316118184 Visualization 0.8833773720874369 X-Cell 0.001080951237088638 ZDOCK 0.03146769156858035

Year

2020 0.0 2021 0.1590622636753214 2022 0.21754474413914798 2023 0.2732543483740862 2024 0.8605999495840686 2025 1.0 2026 0.5176455760020167 2027 8.822788001008318E-4

Keywords

target 1.0 potential 0.27953521703521705 docking 0.23295454545454544 visualization 0.2152948402948403 analysis 0.1928746928746929 between 0.15023546273546273 novel 0.10483210483210484 binding 0.07841932841932842 energy 0.07693488943488944 cell 0.06024774774774775 activity 0.05978705978705979 promising 0.05942874692874693 interaction 0.03521703521703522 synthesized 0.0322993447993448 stability 0.030763718263718265 experimental 0.02574733824733825 protein 0.02323914823914824 development 0.02293202293202293 effective 0.018376330876330876 performance 0.018018018018018018 mechanism 0.017966830466830466 including 0.014486076986076986 synthesis 0.013923013923013924 design 0.0024058149058149058 chemical 0.0
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