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Application

Discovery Studio 0.9906717821409765 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06686449060336301 Amorphous Cell 0.2774480712166172 Blends 0.002472799208704253 CASTEP 0.39218595450049454 CDOCKER 0.16904055390702274 CHARMm 0.2585558852621167 COMPASS 0.36310583580613254 COMPASS III 0.0818001978239367 COSMObase 0.0033630069238377845 COSMOconf 0.003956478733926805 COSMOmic 2.967359050445104E-4 COSMOperm 0.0013847675568743817 COSMOplex 1.9782393669634025E-4 COSMOquick 0.001483679525222552 COSMOtherm 0.0619188921859545 Cantera 0.0 Catalyst 0.1169139465875371 Classical Simulations 1.0 Conformers 0.0010880316518298715 Crystallization 0.07527200791295746 DFTB Plus 0.005044510385756677 DMol3 0.1768545994065282 DPD 0.0027695351137487635 Discover 0.004055390702274975 Forcite 0.5374876360039564 GULP 0.023837784371909 Kinetix 2.967359050445104E-4 LUDI 0.005044510385756677 LibDock 0.06933728981206726 LigandFit 0.006033630069238378 MCSS 8.902077151335311E-4 MODELER 0.19495548961424333 MesoDyn 0.0011869436201780415 Mesocite 0.0035608308605341245 Mesoscale 0.006824925816023739 Modules 0.0 Morphology 0.01730959446092977 ONETEP 0.0010880316518298715 Polymorph 0.0019782393669634025 QMERA 1.9782393669634025E-4 QSAR 9.891196834817012E-4 Quantum Mechanics 0.5574678536102868 Reflex 0.05539070227497527 Reflex Plus 8.902077151335311E-4 Semi-empirical 0.006824925816023739 Sorption 0.05637982195845697 Synthia 0.0010880316518298715 TURBOMOLE 4.945598417408506E-4 VAMP 0.0013847675568743817 Visualization 0.8265084075173096 X-Cell 0.0012858555885262117 ZDOCK 0.028387734915924827

Year

2021 0.035067053280173975 2022 0.1513229430953244 2023 0.2874229793403407 2024 0.708861906487858 2025 1.0 2026 0.3851939108372599 2027 0.0

Keywords

target 1.0 potential 0.2779264502762431 docking 0.21853418508287292 visualization 0.20265020718232044 analysis 0.19272272099447513 between 0.1538760359116022 novel 0.10268473756906077 energy 0.08800932320441988 binding 0.07359288674033149 cell 0.06288846685082873 promising 0.05757941988950276 activity 0.05369475138121547 interaction 0.03798342541436464 stability 0.035738950276243096 synthesized 0.030041436464088397 performance 0.028444406077348067 experimental 0.02788328729281768 mechanism 0.02136567679558011 effective 0.02123618784530387 development 0.01817161602209945 protein 0.016833563535911603 including 0.016660911602209946 synthesis 0.012992058011049724 design 0.002330801104972376 chemical 0.0
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