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Application

Discovery Studio 1.0 Materials Studio 0.9087470012917512 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0638839399338254 Amorphous Cell 0.2708068210740647 Blends 0.0022906592008144567 CASTEP 0.37032323746500384 CDOCKER 0.178925935352507 CHARMm 0.28238737592262664 COMPASS 0.3448714685670654 COMPASS III 0.08831763807584628 COSMObase 0.003945024179180453 COSMOconf 0.0050903537795876815 COSMOmic 1.2725884448969204E-4 COSMOperm 0.0012725884448969204 COSMOplex 2.5451768897938407E-4 COSMOquick 0.0017816238228556885 COSMOtherm 0.0640111987783151 Cantera 0.0 Catalyst 0.12382285568847035 Classical Simulations 1.0 Conformers 7.635530669381522E-4 Crystallization 0.07062865869177908 DFTB Plus 0.005726648002036141 DMol3 0.16403665054721303 DPD 0.0024179180453041487 Discover 0.003054212267752609 Forcite 0.5204886739628404 GULP 0.021761262407737337 Kinetix 2.5451768897938407E-4 LUDI 0.004072283023670145 LibDock 0.07622804784932553 LigandFit 0.004963094935097989 MCSS 5.090353779587681E-4 MODELER 0.21799440061084246 MesoDyn 8.908119114278443E-4 Mesocite 0.0026724357342835328 Mesoscale 0.00559938915754645 Modules 0.0 Morphology 0.016798167472639347 ONETEP 0.0011453296004072283 Polymorph 0.0019088826673453805 QMERA 0.0 QSAR 0.0010180707559175363 Quantum Mechanics 0.523542886230593 Reflex 0.050903537795876815 Reflex Plus 0.0010180707559175363 Semi-empirical 0.007126495291422754 Sorption 0.05573937388648511 Synthia 0.0016543649783659965 TURBOMOLE 5.090353779587681E-4 VAMP 0.0011453296004072283 Visualization 0.8537795876813439 X-Cell 0.0015271061338763044 ZDOCK 0.030287604988546706

Year

2022 0.0 2023 0.28675414232353225 2024 0.5060817929317115 2025 1.0 2026 0.3350253807106599 2027 9.577626664112633E-5

Keywords

target 1.0 potential 0.2805155813231183 docking 0.22631742416399214 visualization 0.19763950719536183 analysis 0.18982296303965213 between 0.14390723677399317 novel 0.10311626462366705 binding 0.07863132829485454 energy 0.07324774821410084 promising 0.06641474272699037 activity 0.05844290299202816 cell 0.057925251061186456 stability 0.03535562687648825 interaction 0.03230148048452221 synthesized 0.031110881043586294 protein 0.02541670980432757 experimental 0.023035510922455742 performance 0.02282845015011906 development 0.02267315457086655 effective 0.021275494357593953 including 0.020913138006004764 mechanism 0.01739310487628119 synthesis 0.016357801014597783 design 0.003054146391966042 compound 0.0
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