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Application

Discovery Studio 1.0 Materials Studio 0.6491548652352672 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08829787234042553 Amorphous Cell 0.11134751773049645 Blends 0.0010638297872340426 CASTEP 0.2925531914893617 CDOCKER 0.21134751773049645 CHARMm 0.24964539007092199 COMPASS 0.24184397163120566 COMPASS III 0.036170212765957444 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 3.546099290780142E-4 COSMOquick 3.546099290780142E-4 COSMOtherm 0.022340425531914895 Catalyst 0.23368794326241135 Classical Simulations 0.750354609929078 Conformers 0.0014184397163120568 Crystallization 0.10319148936170212 DFTB Plus 0.0031914893617021275 DMol3 0.1347517730496454 DPD 0.0014184397163120568 Discover 0.0014184397163120568 Forcite 0.3478723404255319 GULP 0.012411347517730497 LUDI 0.006382978723404255 LibDock 0.06489361702127659 LigandFit 0.006028368794326241 MCSS 0.0031914893617021275 MODELER 0.11666666666666667 MesoDyn 0.0010638297872340426 Mesocite 0.0014184397163120568 Mesoscale 0.00425531914893617 Morphology 0.013120567375886525 Polymorph 7.092198581560284E-4 QMERA 0.0 QSAR 0.0014184397163120568 Quantum Mechanics 0.42021276595744683 Reflex 0.08829787234042553 Reflex Plus 0.0017730496453900709 Semi-empirical 0.005319148936170213 Sorption 0.036170212765957444 Synthia 0.002127659574468085 TURBOMOLE 0.0 VAMP 0.0014184397163120568 Visualization 1.0 X-Cell 0.0017730496453900709 ZDOCK 0.005319148936170213

Year

2019 0.15786516853932583 2020 0.25 2021 0.3089887640449438 2022 0.3865168539325843 2023 0.8415730337078652 2024 1.0 2025 0.9174157303370787 2026 0.298314606741573 2027 0.0

Keywords

synthesized 1.0 target 0.9644895370957515 synthesis 0.37064045656309447 docking 0.35668991756499685 visualization 0.271718452758402 novel 0.26331642358909324 potential 0.25237793278376663 compound 0.19324667089410272 activity 0.1437856689917565 analysis 0.14029803424223208 binding 0.0979708306911858 promising 0.08560558021559923 design 0.07942295497780597 designed 0.07878883956880152 between 0.07482561826252378 vitro 0.07086239695624603 potent 0.06880152187698162 inhibition 0.06277742549143944 experimental 0.024254914394419784 active 0.023145212428662017 cell 0.01664552948636652 effective 0.009194673430564362 drug 0.008402029169308814 silico 0.002694990488268865 energy 0.0
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