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Application

Discovery Studio 0.8638810198300283 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06961178045515395 Amorphous Cell 0.28695735322241345 Blends 0.0025817555938037868 CASTEP 0.4010327022375215 CDOCKER 0.14897685982023331 CHARMm 0.2355134825014343 COMPASS 0.3749282845668388 COMPASS III 0.0830942818894626 COSMObase 0.0035379613692866703 COSMOconf 0.004016064257028112 COSMOmic 9.562057754828839E-5 COSMOperm 0.0013386880856760374 COSMOplex 1.9124115509657678E-4 COSMOquick 0.0013386880856760374 COSMOtherm 0.06454388984509467 Cantera 0.0 Catalyst 0.11005928475807994 Classical Simulations 1.0 Conformers 8.605851979345956E-4 Crystallization 0.07678332377127557 DFTB Plus 0.005641614075349015 DMol3 0.18187033849684453 DPD 0.002868617326448652 Discover 0.0035379613692866703 Forcite 0.551730732453624 GULP 0.025052591317651557 Kinetix 2.8686173264486515E-4 LUDI 0.0037292025243832474 LibDock 0.06291834002677377 LigandFit 0.005067890610059285 MCSS 4.7810288774144193E-4 MODELER 0.17594186268885065 MesoDyn 0.0013386880856760374 Mesocite 0.004111684834576401 Mesoscale 0.007458405048766495 Modules 0.0 Morphology 0.018072289156626505 ONETEP 0.0010518263530311723 Polymorph 0.0018167909734174794 QMERA 1.9124115509657678E-4 QSAR 0.0010518263530311723 Quantum Mechanics 0.5715241920061197 Reflex 0.056320520175941864 Reflex Plus 8.605851979345956E-4 Semi-empirical 0.007649646203863071 Sorption 0.057276725951424745 Synthia 0.001434308663224326 TURBOMOLE 5.737234652897303E-4 VAMP 0.0016255498183209026 Visualization 0.7562631478294128 X-Cell 0.0013386880856760374 ZDOCK 0.02600879709313444

Year

2022 0.029920154426603493 2023 0.3434237079933316 2024 0.7411599543739581 2025 1.0 2026 0.3729928928665438 2027 0.0

Keywords

target 1.0 potential 0.2729237819376594 docking 0.19540875880852535 analysis 0.18723790584064676 visualization 0.18183390255501275 between 0.1577104318879426 novel 0.09562924214257923 energy 0.095499546063724 cell 0.06437248713847218 binding 0.05966019627339934 promising 0.05628809822316372 activity 0.04236738575937054 stability 0.03769832692058277 performance 0.036098741948035105 interaction 0.03264017984522934 experimental 0.032424019713803987 synthesized 0.027452336691020707 effective 0.01984350006484804 mechanism 0.018719467381436167 development 0.017033418356318362 including 0.015779689594051273 synthesis 0.006528035969045869 protein 0.005749859495914574 chemical 2.593921577104319E-4 design 0.0
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