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Application

Discovery Studio 1.0 Materials Studio 0.5662495989733718 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06027727546714889 Amorphous Cell 0.189873417721519 Blends 0.0 CASTEP 0.31645569620253167 CDOCKER 0.3309222423146474 CHARMm 0.4219409282700422 COMPASS 0.2923447860156721 COMPASS III 0.06027727546714889 COSMObase 0.0018083182640144665 COSMOconf 0.0 COSMOperm 6.027727546714888E-4 COSMOquick 0.0018083182640144665 COSMOtherm 0.044002411091018684 Catalyst 0.25316455696202533 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.05485232067510549 DFTB Plus 0.0024110910186859553 DMol3 0.14225437010247136 DPD 0.0018083182640144665 Discover 6.027727546714888E-4 Forcite 0.4243520192887282 GULP 0.010247136829415311 LUDI 0.007233273056057866 LibDock 0.11754068716094032 LigandFit 0.010247136829415311 MCSS 6.027727546714888E-4 MODELER 0.323086196503918 MesoDyn 6.027727546714888E-4 Mesocite 0.0018083182640144665 Mesoscale 0.004219409282700422 Morphology 0.010247136829415311 ONETEP 0.0 Polymorph 0.0024110910186859553 QSAR 0.0012055455093429777 Quantum Mechanics 0.45087402049427366 Reflex 0.040988547317661245 Reflex Plus 6.027727546714888E-4 Semi-empirical 0.0030138637733574444 Sorption 0.023508137432188065 Synthia 0.0 VAMP 0.0 Visualization 0.9415310427968656 X-Cell 0.0012055455093429777 ZDOCK 0.031946955997588906

Year

2022 4.4943820224719103E-4 2023 0.30292134831460676 2024 0.7384269662921348 2025 1.0 2026 0.2539325842696629 2027 0.0

Keywords

novel 1.0 target 0.9514245679588977 potential 0.3591779542269967 docking 0.3080336291452592 analysis 0.18052312003736573 visualization 0.17351704810836058 synthesized 0.13801961700140122 promising 0.1237739374124241 synthesis 0.09995329285380664 binding 0.09434843531060252 activity 0.093647828117702 development 0.08570761326482952 between 0.08103689864549277 compound 0.067725361980383 design 0.033395609528257826 effective 0.025688930406352173 stability 0.025455394675385334 protein 0.019617001401214387 drug 0.018682858477347034 therapeutic 0.017748715553479684 vitro 0.016113965436711817 cell 0.013311536665109761 inhibition 0.005838393274170948 potent 0.0037365716954694066 including 0.0
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