„docking“

Suchergebnisse

7.903 Treffer

• Functionalized imidazolium-based ionic liquids: biological activity evaluation, toxicity screening, spectroscopic, and molecular docking studies
  Trush, Maria M. ; Semenyuta, Ivan V. ; Hodyna, Diana ; Ocheretniuk, Alla D. ; Vdovenko, Sergey I. ; Rogalsky, Sergiy P. ; Kalashnikova, Larisa E. ; Blagodatnyi, Volodymyr ; Kobzar, Oleksandr L. ; Metelytsia, Larisa O.
• Prediction of ligand binding mode among multiple cross-docking poses by molecular dynamics simulations
  Liu, Kai ; Kokubo, Hironori
• Computational analysis of docked protein-protein complexes
  Fink, Florian
• Improving protein docking with binding site prediction
  Huang, Bingding
• Optimierte atom- und aminosäurespezifische Gewichtungsfaktoren für Protein-Docking-Methoden
  Heuser, Philipp
• Analysis of the mechanism of induction of selected tetracycline repressor variants using molecular dynamics simulations and protein-ligand docking
  Seidel, Ute
• Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation
  Patel, Chirag N. ; Kumar, Sivakumar Prasanth ; Pandya, Himanshu A. ; Rawal, Rakesh M.
• Biochemical constituent, enzyme inhibitory activity, and molecular docking analysis of an endemic plant species, Thymus migricus
  Aras, Abdülmelik ; Türkan, Fikret ; Yildiko, Umit ; Atalar, Mehmet Nuri ; Kılıç, Ömer ; Alma, Mehmet Hakki ; Bursal, Ercan
• Synthesis, characterization, antibacterial evaluation, 2D-QSAR modeling and molecular docking studies for benzocaine derivatives
  Taha, Israa ; Keshk, Eman M. ; Khalil, Abdel-Galil M. ; Fekri, Ahmed
• Polymorph of trans-dichlorotetrakis(pyridine-N)ruthenium(II) influenced by a dihydrazone: crystal structure, spectral, Hirshfeld surfaces, antimicrobial, toxicity and in silico docking studies
  BASUMATARY, DEBAJANI ; SHANKAR, MADAN KUMAR ; BYRAPPA, KULLAIAH ; SAIKIA, KANDARPA KUMAR ; DAR, AJAZ AHMAD ; BORAH, VEDANT VIKROM ; SARMA, PRANJIT ; MAHANTA, PRANAMI ; ASTHANA, MRITUNJAYA ; KEERTHIRAJ, NAMRATHA
• Design, Drug-Likeness, Synthesis, Characterization, Antimicrobial Activity, Molecular Docking, and MTT Assessment of 1,3-Thiazolidin-4-one Bearing Piperonal and Pyrimidine Moieties
  Mohammad Arshad
• X-Ray Structure, DFT Study of p-Chlorobenzoic Acid, and the Effect of In Silico Molecular Docking on Tankyrase I Enzyme
  Doaa S. El Sayed ; Sabine Foro
• Three novel complexes of copper: synthesis, characterization, crystal structure, HSA-binding and docking studies, and antiproliferative activity
  Zahmati Eraj, Malihe ; Eriksson, Lars ; Ramezani, Mohammad ; Alibolandi, Mona ; Babaei, Maryam ; Saljooghi, Amir Sh
• DFT, anticancer, antioxidant and molecular docking investigations of some ternary Ni(II) complexes with 2-[(E)-[4-(dimethylamino)phenyl]methyleneamino]phenol
  Mohapatra, Ranjan K. ; El-ajaily, Marei M. ; Alassbaly, Faten S. ; Sarangi, Ashish K. ; Das, Debadutta ; Maihub, Abdussalam A. ; Ben-Gweirif, Salha F. ; Mahal, Ahmed ; Suleiman, Marharyta ; Perekhoda, Lina ; Azam, Mohammad ; Al-Noor, Taghreed H.
• Molecular Structure, Vibrational Spectra, Molecular Docking, and ADMET Study of Cellulose Triacetate II
  Celik, Sefa ; Demirag, A. Demet ; Ozel, Aysen E. ; Akyuz, Sevim
• QSAR and Docking Studies on Some Potential Anti-Cancer Agents to Predict their Effect on M14 Melanoma Cell Line
  Umar, Abdullahi Bello ; Uzairu, Adamu ; Uba, Sani ; Shallangwa, Gideon Adamu
• Molecular Docking, Drug Likeness, and ADMET Analyses of Passiflora Compounds as P-Glycoprotein (P-gp) Inhibitor for the Treatment of Cancer
  Yalcin, Serap
• Synthesis, molecular docking and ADME prediction of some new benzimidazole carboxamidines derivatives as antimicrobial agents
  Erol, Meryem ; Celik, Ismail ; Temiz-Arpaci, Ozlem ; Goker, Hakan ; Kaynak-Onurdag, Fatma ; Okten, Suzan
• AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4
  Valdés-Tresanco, Mario S. ; Valdés-Tresanco, Mario E. ; Valiente, Pedro A. ; Moreno, Ernesto
• Novel N-4-Piperazinyl Ciprofloxacin-Ester Hybrids: Synthesis, Biological Evaluation, and Molecular Docking Studies
  Shahbazi, A. ; Mostafavi, H. ; Zarrini, G. ; Mahdavi, M.