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Application

Discovery Studio 1.0 Materials Studio 0.9332002178253767 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05733519034354689 Amorphous Cell 0.2720519962859796 Blends 0.00255338904363974 CASTEP 0.32079851439182916 CDOCKER 0.1796657381615599 CHARMm 0.2829619312906221 COMPASS 0.33356545961002787 COMPASS III 0.10561745589600743 COSMObase 0.004642525533890436 COSMOconf 0.005571030640668524 COSMOmic 0.0 COSMOperm 4.6425255338904364E-4 COSMOplex 2.3212627669452182E-4 COSMOquick 6.963788300835655E-4 COSMOtherm 0.06360259981429899 Catalyst 0.08472609099350047 Classical Simulations 1.0 Conformers 4.6425255338904364E-4 Crystallization 0.07172701949860724 DFTB Plus 0.004178272980501393 DMol3 0.14438254410399257 DPD 0.00255338904363974 Discover 0.003481894150417827 Forcite 0.5136954503249768 GULP 0.016713091922005572 Kinetix 2.3212627669452182E-4 LUDI 0.003714020427112349 LibDock 0.07358402971216342 LigandFit 0.003946146703806871 MODELER 0.2618384401114206 MesoDyn 0.0 Mesocite 0.0032497678737233053 Mesoscale 0.005571030640668524 Modules 0.0 Morphology 0.016016713091922007 ONETEP 9.285051067780873E-4 Polymorph 0.00255338904363974 QMERA 2.3212627669452182E-4 QSAR 2.3212627669452182E-4 Quantum Mechanics 0.4575208913649025 Reflex 0.051764159702878364 Reflex Plus 9.285051067780873E-4 Semi-empirical 0.005571030640668524 Sorption 0.058263695450324976 Synthia 0.001160631383472609 TURBOMOLE 2.3212627669452182E-4 VAMP 6.963788300835655E-4 Visualization 0.7321262766945218 X-Cell 0.001160631383472609 ZDOCK 0.029944289693593314

Year

2023 0.0 2024 0.41218236173393125 2025 1.0 2026 0.7307548579970105 2027 1.868460388639761E-4

Keywords

target 1.0 potential 0.31374301675977656 docking 0.2376536312849162 analysis 0.22391061452513966 visualization 0.17631284916201118 between 0.14212290502793296 novel 0.09921787709497207 promising 0.09072625698324022 binding 0.08033519553072625 energy 0.06893854748603352 cell 0.060782122905027935 activity 0.05731843575418995 stability 0.04312849162011173 performance 0.03519553072625698 including 0.024245810055865923 synthesized 0.020223463687150837 effective 0.02011173184357542 development 0.018212290502793296 mechanism 0.01441340782122905 experimental 0.012402234636871508 strong 0.01217877094972067 enhanced 0.011508379888268156 interaction 0.010949720670391062 protein 0.007486033519553073 design 0.0
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