„docking“

Suchergebnisse

7.903 Treffer

• Evaluation of the performance of 3D virtual screening programs: docking vs. structure-based pharmacophore
  Erlenkamp, G. ; Heinke, R. ; Meier, R. ; Sippl, W.
• Selectivity of new caspase 3 and 8 tetrapeptide substrates can be explained by automated docking analysis
  Schulz, R. ; Reszka, P. ; Bednarski, PJ
• Glide XP fragment docking and structurebased pharmacophores
  Sherman, W. ; Friesner, R.
• A new approach for flexible protein-ligand docking based on Particle Swarm Optimisation
  Meier, René ; Brandt, Frank ; Pisabarro, Teresa M. ; Baldauf, Carsten ; Sippl, Wolfgang
• The influence of protonation in protein-ligand docking
  Brink, ten T. ; Exner, TE
• A new method in docking for rotatable OH bonds of amino acids in active sites
  Rumpl, Angela ; ClaußEn, Holger ; Detering, Carsten
• Modeling of substrates sorption into acetylcholinesterase and butyrylcholinesterase active sites using molecular docking method
  Belinskaya, Daria ; Shestakova, Natalia ; André, Juffer
• Multi-body interactions in molecular docking: treatment of water molecules and multiple ligands
  Korb, Oliver ; Stützle, T. ; Exner, TE
• Radiation overdose: the utility of ct scanning in self poisoning
  Sondh, G. ; Noble, S. ; Docking, RI ; Doherty, P. ; Davidson, A. ; Mackay, A.
• The Diagnostic Utility of Early Ct Brain Imaging in Poisoned Intensive Care Patients
  Henderson, M. ; Docking, R. ; Hughes, M.
• Activity of the dietary flavonoid, apigenin, against multidrug-resistant tumor cells as determined by pharmacogenomics and molecular docking
  Saeed, Mohamed ; Efferth, Thomas ; Kadioglu, Onat ; Khalid, Hassan ; Sugimoto, Yoshikazu
• OFD1 and VFL3/CCDC61 in basal body positioning and docking in Paramecium
  Bengueddach, H. ; Lemullois, M. ; Cohen, J. ; Tassin, AM ; Aubusson-Fleury, A. ; Koll, F.
• Protein-protein docking on hardware accelerators: comparison of GPU and MIC architectures
  Shimoda, Takehiro ; Suzuki, Shuji ; Ohue, Masahito ; Ishida, Takashi ; Akiyama, Yutaka
• Competitive molecular docking approach for predicting estrogen receptor subtype α agonists and antagonists
  Ng, Hui Wen ; Zhang, Wenqian ; Shu, Mao ; Luo, Heng ; Ge, Weigong ; Perkins, Roger ; Tong, Weida ; Hong, Huixiao
• IFACEwat: the interfacial water-implemented re-ranking algorithm to improve the discrimination of near native structures for protein rigid docking
  Su, Chinh Tran-To ; Nguyen, Thuy-Diem ; Zheng, Jie ; Kwoh, Chee-Keong
• Production of a phage-displayed mouse ScFv antibody against fumonisin B1 and molecular docking analysis of their interactions
  Hu, Zu-Quan ; Li, He-ping ; Liu, Jin-Long ; Xue, Sheng ; Gong, An-Dong ; Zhang, Jing-Bo ; Liao, Yu-Cai
• Synthesis, biological evaluation and molecular docking studies of N-acylheteroaryl hydrazone derivatives as antioxidant and anti-inflammatory agents
  Mahajan, Pravin S. ; Nikam, Mukesh D. ; Khedkar, Vijay M. ; Jha, Prakash C. ; Sarkar, Dhiman ; Gill, Charansingh H.
• Synthesis of a new series of pyrimidine derivatives: exploration of anti-proliferative activity on EAT cells and molecular docking
  Senthilkumar, N. ; Ravichandran, Y. Dominic ; Kumar, K. M. ; Ramaiah, Sudha
• Synthesis, antimicrobial evaluation, and molecular docking studies of new tetrahydrocarbazole derivatives
  Mohamed, Neama A. ; El-Serwy, Walaa S. ; Abd El-Karim, Somaia S. ; Awad, Ghada E. A. ; Elseginy, Samia A.
• Synthesis, molecular docking and biological evaluation of new thiazolopyrimidine carboxylates as potential antidiabetic and antibacterial agents
  Batool, Iram ; Saeed, Aamer ; Qureshi, Irfan Zia ; Kalsoom, Saima ; Razzaq, Ayesha