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Application

Discovery Studio 1.0 Materials Studio 0.9935085249491632 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06644790812141099 Amorphous Cell 0.27850697292863 Blends 0.002461033634126333 CASTEP 0.38484413453650534 CDOCKER 0.17093929450369155 CHARMm 0.2612797374897457 COMPASS 0.3576702214930271 COMPASS III 0.08357260049220673 COSMObase 0.003486464315012305 COSMOconf 0.004101722723543888 COSMOmic 3.0762920426579164E-4 COSMOperm 0.0013330598851517637 COSMOplex 2.0508613617719443E-4 COSMOquick 0.001435602953240361 COSMOtherm 0.0624487284659557 Cantera 0.0 Catalyst 0.11823215750615258 Classical Simulations 1.0 Conformers 0.0011279737489745694 Crystallization 0.0736259228876128 DFTB Plus 0.004922067268252666 DMol3 0.1736054142739951 DPD 0.0027686628383921247 Discover 0.0035890073831009025 Forcite 0.5363002461033635 GULP 0.023687448728465954 Kinetix 2.0508613617719443E-4 LUDI 0.004922067268252666 LibDock 0.07024200164068908 LigandFit 0.005947497949138638 MCSS 8.203445447087777E-4 MODELER 0.19770303527481542 MesoDyn 0.0012305168170631665 Mesocite 0.003281378178835111 Mesoscale 0.006665299425758818 Modules 0.0 Morphology 0.017022149302707137 ONETEP 0.0011279737489745694 Polymorph 0.0017432321575061526 QMERA 2.0508613617719443E-4 QSAR 8.203445447087777E-4 Quantum Mechanics 0.5473748974569319 Reflex 0.054245283018867926 Reflex Plus 9.228876127973749E-4 Semi-empirical 0.006562756357670222 Sorption 0.05609105824446267 Synthia 0.0011279737489745694 TURBOMOLE 5.12715340442986E-4 VAMP 0.0012305168170631665 Visualization 0.8293683347005743 X-Cell 0.0012305168170631665 ZDOCK 0.028199343724364234

Year

2021 0.014109024278515804 2022 0.1473202015574897 2023 0.2820888685295465 2024 0.6695373339441136 2025 1.0 2026 0.38946404031149795 2027 0.0

Keywords

target 1.0 potential 0.28163393417630705 docking 0.22186350999910323 visualization 0.2046004842615012 analysis 0.1940633127073805 between 0.1542462559411712 novel 0.10339879831405255 energy 0.08689803605057843 binding 0.07519504977132095 cell 0.06371625863151287 promising 0.05986010223298359 activity 0.05560039458344543 interaction 0.03699219800914716 stability 0.036588646758138284 synthesized 0.030580217020894987 performance 0.029055690072639227 experimental 0.02757600215227334 mechanism 0.022240157833378172 effective 0.02170208949869967 development 0.019011747825307148 protein 0.01820464532328939 including 0.018114967267509642 synthesis 0.01349654739485248 design 0.002959375840731773 chemical 0.0
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