نتایج جستجو برای: ligand protein interactions

تعداد نتایج: 1611076  

2017
X. Feng J. Ambia K-Y. Chen M. Young P. Barth

Accurate modeling and design of protein-ligand interactions have broad applications in cell biology, synthetic biology and drug discovery but remain challenging without experimental protein structures. Here we developed an integrated protein-homology-modeling, ligand-docking protein-design approach that reconstructs protein-ligand binding sites from homolog protein structures in the presence of...

2017
Sotaro Fujii Hiroya Oki Kazuki Kawahara Daisuke Yamane Masaru Yamanaka Takahiro Maruno Yuji Kobayashi Misa Masanari Satoshi Wakai Hirofumi Nishihara Tadayasu Ohkubo Yoshihiro Sambongi

Thermophilic Hydrogenophilus thermoluteolus cytochrome c' (PHCP) exhibits higher thermal stability than a mesophilic counterpart, Allochromatium vinosum cytochrome c' (AVCP), which has a homo-dimeric structure and ligand-binding ability. To understand the thermal stability mechanism and ligand-binding ability of the thermally stable PHCP protein, the crystal structure of PHCP was first determin...

Journal: :Chemical biology & drug design 2018
Michal Brylinski

The ability to design and fine-tune non-covalent interactions between organic ligands and proteins is indispensable to rational drug development. Aromatic stacking has long been recognized as one of the key constituents of ligand-protein interfaces. In this communication, we employ a two-parameter geometric model to conduct a large-scale statistical analysis of aromatic contacts in the experime...

Journal: :Structure 2012
Ambrish Roy Yang Zhang

Proteins perform functions through interacting with other molecules. However, structural details for most of the protein-ligand interactions are unknown. We present a comparative approach (COFACTOR) to recognize functional sites of protein-ligand interactions using low-resolution protein structural models, based on a global-to-local sequence and structural comparison algorithm. COFACTOR was tes...

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