Theorem 2 Given n and v0 > 0, there exists ǫ0 > 0 depending only on n and v0 which has the following property. For any r0 > 0 and ǫ ∈ (0, ǫ0] suppose (Mn, g(t)) is a complete smooth solution to the Ricci flow on [0, (ǫr0) 2] with bounded sectional curvature, and assume that at t = 0 for some x0 ∈ M we have curvature bound |Rm |(x, 0) ≤ r 0 for all x ∈ Bg(0)(x0, r0), and volume lower bound Volg(...

We present the novel docking algorithm based on the Tensor Train decomposition and the TT-Cross global optimization. The algorithm is applied to the docking problem with flexible ligand and moveable protein atoms. The energy of the protein-ligand complex is calculated in the frame of the MMFF94 force field in vacuum. The grid of precalculated energy potentials of probe ligand atoms in the field...

BACKGROUND HCV has become a leading cause of liver cirrhosis and hepatocellular carcinoma and is a major health concern worldwide. To date, there is no vaccine available in the market to tackle this disease, therefore there is a strong need to develop antiviral compounds that can target all genotypes of HCV with the same efficiency. Medicinal plants have low cost and are less toxic therefore, e...

p53, as a transcription factor, plays an eminent role in tumor suppression. Y220C, a substitution mutation, which cause major structural changes in the protein, is evidenced to form a new protein cavity. This cavity is reckoned to accommodate small drug candidates, which may play a key role in cancer suppression. In the present, study we have tried to determine a drug candidate based on structu...

Androgen receptor antagonists have been proved to be effective anti-prostate cancer agents. 3D-QSAR and Molecular docking methods were performed on curcumin derivatives as androgen receptor antagonists. The bioactive conformation was explored by docking the potent compound 29 into the binding site of AR. The constructed Comparative Molecular Field Analysis (CoMFA) and Comparative Similarity Ind...

At cross docking terminals, products from incoming trucks are sorted according to their destinations and transferred to outgoing trucks using a small temporary storage. Such terminals allow companies to reduce storage and transportation costs in a supply chain. This paper focuses on the operational activities at cross docking terminals. We consider the trucks scheduling problem with the objecti...

Kinase insert domain receptor (KDR) inhibitors have been proved to be very effective anticancer agents. Molecular docking, 3D-QSAR methods, CoMFA and CoMSIA were performed on pyrrolo[3,2-d]pyrimidine derivatives as non-ATP competitive KDR inhibitors (type II). The bioactive conformation was explored by docking one potent compound 20 into the active site of KDR in its DFG-out inactive conformati...

Cross-docking is a logistics technique that minimizes the storage and order picking functions of a warehouse while still allowing it to serve its receiving and shipping functions. In this paper, we propose a novel hybrid meta-heuristic algorithm for solving scheduling trucks in cross-docking problems. This algorithm comprises three components: an initial population generation method based on an...

The modeling of large biomolecular assemblies frequently requires a combination of multi-resolution data from a variety of biophysical sources. Several algorithmic solutions to this docking problem have been proposed which are usually based on the spatial cross correlation. In [1] it was shown that Laplace-filtering techniques can improve the docking performance of these algorithms. This note p...

Adaptor protein complexes (APs) are evolutionarily conserved heterotetramers that couple cargo selection to the formation of highly curved membranes during vesicle budding. In Saccharomyces cerevisiae, AP-3 mediates vesicle traffic from the late Golgi to the vacuolar lysosome. The HOPS subunit Vps41 is one of the few proteins reported to have a specific role in AP-3 traffic, yet its function re...