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Application

Discovery Studio 0.952 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06232782369146005 Amorphous Cell 0.2863292011019284 Blends 0.002066115702479339 CASTEP 0.3455578512396694 CDOCKER 0.162534435261708 CHARMm 0.25792011019283745 COMPASS 0.34676308539944906 COMPASS III 0.10244490358126722 COSMObase 0.004476584022038568 COSMOconf 0.005681818181818182 COSMOmic 0.0 COSMOperm 3.443526170798898E-4 COSMOplex 1.721763085399449E-4 COSMOquick 0.0013774104683195593 COSMOtherm 0.06577134986225895 Catalyst 0.08264462809917356 Classical Simulations 1.0 Conformers 3.443526170798898E-4 Crystallization 0.07059228650137742 DFTB Plus 0.004132231404958678 DMol3 0.15616391184573003 DPD 0.001893939393939394 Discover 0.003615702479338843 Forcite 0.5330578512396694 GULP 0.020833333333333332 Kinetix 1.721763085399449E-4 LUDI 0.003443526170798898 LibDock 0.06835399449035813 LigandFit 0.003960055096418733 MCSS 3.443526170798898E-4 MODELER 0.24827823691460055 MesoDyn 6.887052341597796E-4 Mesocite 0.0027548209366391185 Mesoscale 0.005165289256198347 Modules 0.0 Morphology 0.01652892561983471 ONETEP 8.608815426997245E-4 Polymorph 0.002066115702479339 QMERA 1.721763085399449E-4 QSAR 6.887052341597796E-4 Quantum Mechanics 0.49207988980716255 Reflex 0.05096418732782369 Reflex Plus 6.887052341597796E-4 Semi-empirical 0.005681818181818182 Sorption 0.056818181818181816 Synthia 0.0010330578512396695 TURBOMOLE 3.443526170798898E-4 VAMP 0.0010330578512396695 Visualization 0.6990358126721763 X-Cell 0.0015495867768595042 ZDOCK 0.02772038567493113

Year

2023 0.0013517166801838335 2024 0.4935117599351176 2025 1.0 2026 0.5739389024060557 2027 0.0

Keywords

target 1.0 potential 0.297634691195795 analysis 0.2097568988173456 docking 0.20959264126149804 visualization 0.16130091984231273 between 0.1498850197109067 novel 0.09568002628120893 energy 0.08229303547963206 promising 0.0794185282522996 binding 0.06718134034165571 cell 0.06364980289093299 activity 0.04517082785808147 performance 0.040900131406044676 stability 0.03818988173455979 including 0.01938239159001314 experimental 0.017247043363994744 synthesized 0.01626149802890933 effective 0.01568659658344284 development 0.015111695137976347 mechanism 0.013715505913272011 interaction 0.01133377135348226 enhanced 0.009526938239159002 strong 0.0021353482260183967 protein 8.21287779237845E-5 design 0.0
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