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Application

Discovery Studio 1.0 Materials Studio 0.9572750541445166 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.055165496489468405 Amorphous Cell 0.2818455366098295 Blends 0.0017552657973921766 CASTEP 0.32673019057171515 CDOCKER 0.17452357071213642 CHARMm 0.2713139418254764 COMPASS 0.3392678034102307 COMPASS III 0.10882647943831494 COSMObase 0.004262788365095286 COSMOconf 0.005516549648946841 COSMOmic 2.5075225677031093E-4 COSMOperm 5.015045135406219E-4 COSMOplex 2.5075225677031093E-4 COSMOquick 0.0010030090270812437 COSMOtherm 0.0641925777331996 Catalyst 0.09327983951855567 Classical Simulations 1.0 Conformers 5.015045135406219E-4 Crystallization 0.07146439317953862 DFTB Plus 0.00526579739217653 DMol3 0.1466900702106319 DPD 0.0025075225677031092 Discover 0.003259779338014042 Forcite 0.5253259779338014 GULP 0.017552657973921765 Kinetix 2.5075225677031093E-4 LUDI 0.0022567703109327986 LibDock 0.0687061183550652 LigandFit 0.004513540621865597 MODELER 0.25376128385155466 MesoDyn 0.0 Mesocite 0.003009027081243731 Mesoscale 0.00526579739217653 Modules 0.0 Morphology 0.016800401203610833 ONETEP 0.0012537612838515546 Polymorph 0.0025075225677031092 QMERA 0.0 QSAR 2.5075225677031093E-4 Quantum Mechanics 0.46589769307923773 Reflex 0.05090270812437312 Reflex Plus 0.0010030090270812437 Semi-empirical 0.006519558676028084 Sorption 0.06168505516549649 Synthia 0.0012537612838515546 TURBOMOLE 2.5075225677031093E-4 VAMP 7.522567703109327E-4 Visualization 0.7575225677031093 X-Cell 7.522567703109327E-4 ZDOCK 0.027582748244734202

Year

2023 0.027491408934707903 2024 0.42917143948071784 2025 1.0 2026 0.585528827796869 2027 0.0

Keywords

target 1.0 potential 0.30444992368204765 docking 0.22578372666431842 analysis 0.21239873194786896 visualization 0.18140190207819654 between 0.14007279558529998 novel 0.09287307737466244 promising 0.08007514382998708 energy 0.0753786544557943 binding 0.0730304097686979 cell 0.060819537395796645 activity 0.054361864506281554 stability 0.03686744158741341 performance 0.03592814371257485 including 0.021956087824351298 synthesized 0.020077492074674182 development 0.01620288834096513 mechanism 0.01561582716919103 effective 0.014793941528707291 experimental 0.012563109075965716 interaction 0.011388986732417518 enhanced 0.00516613831161207 protein 0.003992015968063872 strong 0.0010567101091933778 synthesis 0.0
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