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Application

Discovery Studio 1.0 Materials Studio 0.9713526845000948 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05991106950620173 Amorphous Cell 0.27942897261876903 Blends 0.001872220922068804 CASTEP 0.3185115843669553 CDOCKER 0.17247835244558857 CHARMm 0.2780248069272174 COMPASS 0.33465948981979876 COMPASS III 0.10507839925111163 COSMObase 0.005148607535689211 COSMOconf 0.006084717996723613 COSMOmic 0.0 COSMOperm 4.68055230517201E-4 COSMOplex 2.340276152586005E-4 COSMOquick 0.001404165691551603 COSMOtherm 0.06412356658085654 Catalyst 0.07863327872688977 Classical Simulations 1.0 Conformers 2.340276152586005E-4 Crystallization 0.07091036742335595 DFTB Plus 0.0030423589983618066 DMol3 0.15071378422653872 DPD 0.0021062485373274046 Discover 0.00444652468991341 Forcite 0.5190732506435759 GULP 0.018488181605429442 Kinetix 0.0 LUDI 0.00444652468991341 LibDock 0.07208050549964896 LigandFit 0.004212497074654809 MCSS 4.68055230517201E-4 MODELER 0.25813245963023634 MesoDyn 4.68055230517201E-4 Mesocite 0.0030423589983618066 Mesoscale 0.005382635150947812 Morphology 0.015913877837584835 ONETEP 7.020828457758015E-4 Polymorph 0.0021062485373274046 QMERA 2.340276152586005E-4 QSAR 7.020828457758015E-4 Quantum Mechanics 0.46033231921366724 Reflex 0.05195413058740932 Reflex Plus 4.68055230517201E-4 Semi-empirical 0.00468055230517201 Sorption 0.05476246197051252 Synthia 9.36110461034402E-4 TURBOMOLE 0.0 VAMP 9.36110461034402E-4 Visualization 0.706529370465715 X-Cell 0.0016381933068102036 ZDOCK 0.029019424292066463

Year

2024 0.3753366679492112 2025 1.0 2026 0.7831858407079646 2027 0.0

Keywords

target 1.0 potential 0.31504648226787557 docking 0.22942729255136005 analysis 0.22219671754849077 visualization 0.16710662228853437 between 0.14495581315276024 novel 0.09376793297371744 promising 0.08940663376563755 binding 0.07850338574543785 energy 0.0720762079651096 cell 0.06220589923103409 activity 0.04797429128887869 stability 0.03959600596809365 performance 0.03328359921955698 including 0.02490531389877195 strong 0.015838402387237462 development 0.014346378973946975 effective 0.014346378973946975 synthesized 0.013887294846780673 enhanced 0.010558934924824974 mechanism 0.010214621829450246 experimental 0.008837369447951337 interaction 0.005968093653161942 protein 0.0014920234132904855 design 0.0
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