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Application

Discovery Studio 1.0 Materials Studio 0.9803173327977506 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0672231197271585 Amorphous Cell 0.2743672590199246 Blends 0.002602764315203734 CASTEP 0.39490217196194577 CDOCKER 0.172859450726979 CHARMm 0.26126368695027824 COMPASS 0.36456650511577815 COMPASS III 0.07898043439238916 COSMObase 0.0032310177705977385 COSMOconf 0.003859271225991743 COSMOmic 2.6925148088314486E-4 COSMOperm 0.0013462574044157242 COSMOplex 2.6925148088314486E-4 COSMOquick 0.0015257583916711542 COSMOtherm 0.06237659307126189 Cantera 0.0 Catalyst 0.12493268712977922 Classical Simulations 1.0 Conformers 9.872554299048646E-4 Crystallization 0.07583916711541913 DFTB Plus 0.005474780111290612 DMol3 0.1788727338000359 DPD 0.002602764315203734 Discover 0.003859271225991743 Forcite 0.5323999281996051 GULP 0.024591635253993896 Kinetix 2.6925148088314486E-4 LUDI 0.005115778136779752 LibDock 0.07144139292766111 LigandFit 0.006731287022078622 MCSS 8.975049362771495E-4 MODELER 0.18775803266917968 MesoDyn 0.0012565069107880094 Mesocite 0.003769520732364028 Mesoscale 0.007000538502961767 Modules 0.0 Morphology 0.0174115957637767 ONETEP 9.872554299048646E-4 Polymorph 0.001974510859809729 QMERA 1.795009872554299E-4 QSAR 0.0010770059235325794 Quantum Mechanics 0.5615688386286125 Reflex 0.05591455753006642 Reflex Plus 8.077544426494346E-4 Semi-empirical 0.007449290971100341 Sorption 0.05609405851732185 Synthia 0.0013462574044157242 TURBOMOLE 5.385029617662897E-4 VAMP 0.0016155088852988692 Visualization 0.8613354873451804 X-Cell 0.0012565069107880094 ZDOCK 0.02988691437802908

Year

2021 0.06825968549591496 2022 0.17798471404726346 2023 0.36932267416322584 2024 0.792936835632083 2025 1.0 2026 0.3734516384081525 2027 0.0

Keywords

target 1.0 potential 0.2752932128436839 docking 0.22203422418765623 visualization 0.21184387617765815 analysis 0.18942511055566238 between 0.15327821572774467 novel 0.10271101711209382 energy 0.08490674870217266 binding 0.0741011343972313 cell 0.06079600076908287 activity 0.05514324168429148 promising 0.05348971351663142 interaction 0.040415304749086715 stability 0.03410882522591809 synthesized 0.030878677177465872 experimental 0.028763699288598347 performance 0.02334166506441069 mechanism 0.020842145741203615 effective 0.02049605845029802 protein 0.02011151701595847 development 0.018804076139204 synthesis 0.015650836377619687 including 0.014766391078638723 design 0.002999423187848491 chemical 0.0
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