نتایج جستجو برای: logp

تعداد نتایج: 609  

Journal: :Bioinformation 2006
Channa K Hattotuwagama Darren R Flower

Peptides are of great therapeutic potential as vaccines and drugs. Knowledge of physicochemical descriptors, including the partition coefficient P (commonly expressed in logarithm form: logP), is useful for screening out unsuitable molecules and also for the development of predictive Quantitative Structure-Activity Relationships (QSARs). In this paper we develop a new approach to the prediction...

2013

In this work the antibacterial activity of asulfathiazole derivative was evaluated against both Staphylococcus aureus and Vibrio cholerae using cefotaxime, gentamicin, ciprofloxacin and sulfathiazole as controls. The evaluation of antimicrobial effect of the different compounds on the bacterial species was made by the method of microbial minimal inhibitory. The results indicate that bacterial g...

2012
Jiajian Yin Yong Liu

The hydrophobicity of peptide is an important factor that affects the dissolution behavior of proteins and peptides, also affect the physical and chemical properties. In this study, each amino acid side chain was characterized using three structure parameters (heuristic molecular lipophilicity potential, HMLP). The HMLP parameters, total surface area(S), lipophilic indices (L), and hydrophilic ...

2008
Jérôme Dedecker

In this paper we are concerned with the moderate deviation principle for the normalized partial sums process Wn, considered as an element of D([0, 1]) (functions on [0, 1] with left-hand limits and continuous from the right), equipped with the Skorohod topology (see Section 14 in Billingsley (1968) for the description of the topology on D([0, 1])). More exactly, we say that the family of random...

2007
Masato Kurihara Robert Pollack

Let E be an elliptic curve over Q. We assume that E has good supersingular reduction at a prime p, and for simplicity, assume p is odd and ap = p+ 1− #E(Fp) is zero. Then, as the second author showed, the p-adic L-function Lp,α(E) of E corresponding to α = ±√−p (by Amice-Vélu and Vishik) can be written as Lp,α(E) = f log+p +g logp α by using two Iwasawa functions f and g ∈ Zp[[Gal(Q∞/Q)]] ([20]...

1998
Giulio Iannello Mario Lauria Stefano Mercolino

Designing high performance communication software requires an in-depth understanding of the role of the components of the underlying machine/network architecture and their reciprocal interactions. The task is complicated by the continuing technological advances in the machine architectures. In this paper we analyze the performance of the Fast Messages (FM) high performance messaging layer on th...

Journal: :Journal of computational chemistry 2004
Maxim Totrov

A novel method for fast and accurate evaluation of the generalized Born radii in macromolecular solvation electrostatics calculations is proposed, based on the solvent accessibility of the first two solvation layers around an atom. The reverse generalized Born radii calculated by the method have correlation coefficient of 98.7% and RMSD of 0.031 A(-1) with the values obtained using a precise bu...

1999
Peng Tao Renxiao Wang Luhua Lai

A new addition method is described in this study for calculating the partition coefficients of peptides. LogP and logD values of peptides are calculated by summing the contributions of the component amino acids. The final models are derived from a multivariate linear regression analysis of 219 peptides with known experimental data. The standard errors in a leave-one-out cross-validation are 0.2...

2001
Shuenn-Jyi SHEU

– For the system of d-dim stochastic differential equations, dXε(t)= b(X(t))dt + εσ(X(t))dW(t), t ∈ [0,1], Xε(0)= x0 ∈Rd, where b(x) and σ(x) are smooth except possibly along the hyperplane {(x1, . . . , xd);x1 = 0}, we shall demonstrate that the natural setup of its large deviation principle is to consider the probability ε2 logP(‖Xε − φ‖< δ, ‖uε − ψ‖ < δ, ‖ ε − η‖< δ)∼−I (φ,ψ,η) of the triple...

Journal: :Journal of medicinal chemistry 2013
Marina Shalaeva Giulia Caron Yuriy A Abramov Thomas N O'Connell Mark S Plummer Geeta Yalamanchi Kathleen A Farley Gilles H Goetz Laurence Philippe Michael J Shapiro

This study demonstrates that ΔlogP(oct-tol) (difference between logP(octanol) and logP(toluene)) describes compounds propensity to form intramolecular hydrogen bonds (IMHB) and may be considered a privileged molecular descriptor for use in drug discovery and for prediction of IMHB in drug candidates. We identified experimental protocols for acquiring reliable ΔlogP(oct-tol) values on a set of c...

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