Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Govardhan A, Balaji"'
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 85:979-1001
We have presented an extensive analysis of the peptide backbone dihedral angles in the PDB structures and computed experimental Ramachandran plots for their distributions seen under a various constraints on X-ray resolution, representativeness at dif
Publikováno v:
Journal of Molecular Structure. 1108:352-369
Factor XIa inhibitors have been identified to have potential as anticoagulants with robust efficacy and low bleeding risks. In light of their significance and the availability of their 3-D X-ray data in the PDB, we present molecular docking studies c
Autor:
Raghuraman Kannan, Cory E. Johnson, Richard D. Hammer, Charles W. Caldwell, Govardhan A. Balaji, Vitukudi Narayanaiyengar Balaji
Publikováno v:
Scientific Reports
Scientific Reports, Vol 7, Iss 1, Pp 1-11 (2017)
Scientific Reports, Vol 7, Iss 1, Pp 1-11 (2017)
Blocking the interaction between Programmed Death Ligand 1 (PD-L1) and its receptor, PD-1, is an effective method of treating many types of cancers. Certain tumors overexpress PD-L1, causing host immune cells that express PD-1 to bind PD-L1 and cease
Publikováno v:
Proteins. 85(6)
We have presented an extensive analysis of the peptide backbone dihedral angles in the PDB structures and computed experimental Ramachandran plots for their distributions seen under a various constraints on X-ray resolution, representativeness at dif
Publikováno v:
Journal of Molecular Structure. 1042:86-103
We present molecular docking and 3-D QSAR studies on a series of tetrahydropyrimid-2-one HIV-1 protease inhibitors whose binding affinities to the enzyme span nearly 6 orders of magnitude. The docking investigations have been carried out with Surflex