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Application

Discovery Studio 1.0 Materials Studio 0.45869098712446355 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.053918495297805645 Amorphous Cell 0.1206896551724138 Blends 3.1347962382445143E-4 CASTEP 0.31128526645768023 CDOCKER 0.21567398119122258 CHARMm 0.35893416927899685 COMPASS 0.18620689655172415 COMPASS III 0.04357366771159875 COSMObase 0.0034482758620689655 COSMOconf 0.0034482758620689655 COSMOperm 0.0012539184952978057 COSMOquick 3.1347962382445143E-4 COSMOtherm 0.055485893416927896 Catalyst 0.14890282131661442 Classical Simulations 0.7539184952978056 Conformers 6.269592476489029E-4 Crystallization 0.03510971786833856 DFTB Plus 0.003134796238244514 DMol3 0.12476489028213165 DPD 6.269592476489029E-4 Discover 0.0028213166144200625 Forcite 0.2655172413793103 GULP 0.015047021943573668 Kinetix 6.269592476489029E-4 LUDI 0.0059561128526645765 LibDock 0.09623824451410658 LigandFit 0.005642633228840125 MCSS 3.1347962382445143E-4 MODELER 0.28025078369905954 Mesocite 3.1347962382445143E-4 Mesoscale 0.0012539184952978057 Morphology 0.007210031347962382 ONETEP 6.269592476489029E-4 Polymorph 0.0012539184952978057 QMERA 0.0 QSAR 9.404388714733542E-4 Quantum Mechanics 0.4269592476489028 Reflex 0.026332288401253918 Semi-empirical 0.0040752351097178684 Sorption 0.0322884012539185 Synthia 0.0 TURBOMOLE 3.1347962382445143E-4 VAMP 3.1347962382445143E-4 Visualization 1.0 X-Cell 9.404388714733542E-4 ZDOCK 0.03103448275862069

Year

2022 0.0 2023 0.27228483606557374 2024 0.7389856557377049 2025 1.0 2026 0.21644467213114754 2027 2.5614754098360657E-4

Keywords

potential 1.0 target 0.9473903966597077 docking 0.37230340988169797 analysis 0.2712595685455811 visualization 0.23576896311760612 binding 0.12595685455810718 novel 0.11927627000695894 promising 0.11426583159359777 between 0.0848990953375087 activity 0.07627000695894225 therapeutic 0.0627696590118302 protein 0.05135699373695198 stability 0.03590814196242171 silico 0.03535142658315936 vitro 0.0349338900487126 including 0.03395963813500348 drug 0.022268615170494086 development 0.018510786360473208 treatment 0.017118997912317326 compound 0.014335421016005568 inhibition 0.010995128740431454 effective 0.00848990953375087 interaction 0.00848990953375087 energy 0.008211551844119694 strong 0.0
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