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Application

Discovery Studio 1.0 Materials Studio 0.9139251915277152 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06814977283409056 Amorphous Cell 0.2716590944696851 Blends 0.002506658311138963 CASTEP 0.37678207739307534 CDOCKER 0.18016606611311295 CHARMm 0.2801190662697791 COMPASS 0.35155882813723954 COMPASS III 0.07441641861193796 COSMObase 0.002663324455585148 COSMOconf 0.003446655177816074 COSMOmic 3.1333228889237035E-4 COSMOperm 0.0012533291555694814 COSMOplex 0.0 COSMOquick 0.0014099953000156666 COSMOtherm 0.059219802600658 Cantera 0.0 Catalyst 0.12830957230142567 Classical Simulations 1.0 Conformers 0.0012533291555694814 Crystallization 0.07222309258969137 DFTB Plus 0.003603321322262259 DMol3 0.1681027729907567 DPD 0.002663324455585148 Discover 0.0039166536111546295 Forcite 0.5229515901613662 GULP 0.02302992323358922 Kinetix 1.5666614444618518E-4 LUDI 0.006579978066739777 LibDock 0.07425975246749178 LigandFit 0.007206642644524518 MCSS 0.0014099953000156666 MODELER 0.19583268055773148 MesoDyn 0.0015666614444618519 Mesocite 0.003603321322262259 Mesoscale 0.007049976500078333 Morphology 0.015823280589064702 ONETEP 0.0010966630111232962 Polymorph 0.0012533291555694814 QMERA 1.5666614444618518E-4 QSAR 7.833307222309259E-4 Quantum Mechanics 0.5343882187059377 Reflex 0.054519818267272445 Reflex Plus 3.1333228889237035E-4 Semi-empirical 0.005326648911170296 Sorption 0.0518564938116873 Synthia 3.1333228889237035E-4 TURBOMOLE 6.266645777847407E-4 VAMP 0.0012533291555694814 Visualization 0.87310042299859 X-Cell 0.0012533291555694814 ZDOCK 0.03086323045589848

Year

2021 0.05285118219749652 2022 0.25714727244629887 2023 0.33364240457425437 2024 0.7536702209859373 2025 1.0 2026 0.3996291145108948 2027 0.0

Keywords

target 1.0 potential 0.2794876952994032 docking 0.23415811707905854 visualization 0.21565077449205391 analysis 0.19144370683296452 between 0.14926574129953732 novel 0.10581371957352645 binding 0.08274659692885401 energy 0.07550459330785221 cell 0.05974652987326494 activity 0.05639375041909743 promising 0.05277274860859653 interaction 0.03969690873734326 stability 0.032790183061758196 synthesized 0.02796218064775699 protein 0.025011734728089586 experimental 0.023804734124589284 effective 0.02165895527392208 mechanism 0.02152484409575538 including 0.017367397572587675 performance 0.017233286394420975 synthesis 0.017233286394420975 development 0.016898008449004225 design 0.004090390934084356 chemical 0.0
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