Výsledky vyhledávání

E230Q mutation of the catalytic subunit of cAMP-dependent protein kinase affects local structure and the binding of peptide inhibitor

Autor: Ung, M U, Lu, B Z, McCammon, J A

Publikováno v: Ung, M U; Lu, B Z; & McCammon, J A. (2006). E230Q mutation of the catalytic subunit of cAMP-dependent protein kinase affects local structure and the binding of peptide inhibitor. Biopolymers, 81(6), 428-439. UC San Diego: Retrieved from: http://www.escholarship.org/uc/item/0wn2h2zn

The active site a the mammalian cAMP-dependent protein kinase catalytic subunit (C-sub-unit) has a cluster of nonconserved acidic residues-Glu127, Glul 70, Glu203, Glu230, and Asp241-that are crucial for substrate recognition and binding. Studies hav

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Computational analysis and prediction of the binding motif and protein interacting partners of the Abl SH3 domain

Autor: Hou, T J, Chen, K, McLaughlin, W A, Lu, B Z, Wang, W

Publikováno v: Hou, T J; Chen, K; McLaughlin, W A; Lu, B Z; & Wang, W. (2006). Computational analysis and prediction of the binding motif and protein interacting partners of the Abl SH3 domain. PLOS Computational Biology, 2(1), 46-55. UC San Diego: Retrieved from: http://www.escholarship.org/uc/item/598624wh

Protein-protein interactions, particularly weak and transient ones, are often mediated by peptide recognition domains, such as Src Homology 2 and 3 (SH2 and SH3) domains, which bind to specific sequence and structural motifs. It is important but chal

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Channel opening motion of alpha 7 nicotinic acetylcholine receptor as suggested by normal mode analysis

Autor: Cheng, X L, Lu, B Z, Grant, B, Law, R J, McCammon, J A

Publikováno v: Cheng, X L; Lu, B Z; Grant, B; Law, R J; & McCammon, J A. (2006). Channel opening motion of alpha 7 nicotinic acetylcholine receptor as suggested by normal mode analysis. Journal of Molecular Biology, 355(2), 310-324. UC San Diego: Retrieved from: http://www.escholarship.org/uc/item/7139s0t4

The gating motion of the human nicotinic acetylcholine receptor (nAChR) alpha 7 was investigated with normal mode analysis (NMA) of two homology models. The first model, referred to as model 1, was built from both the Lymnaea stagnalis acetylcholine

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Direct estimation of entropy loss due to reduced translational and rotational motions upon molecular binding

Autor: Lu, B Z, Wong, C F

Publikováno v: Lu, B Z; & Wong, C F. (2005). Direct estimation of entropy loss due to reduced translational and rotational motions upon molecular binding. Biopolymers, 79(5), 277-285. UC San Diego: Retrieved from: http://www.escholarship.org/uc/item/7w49j4x2

The entropic cost due to the loss of translational and rotational (T-R) degree of freedom upon binding has been well recognized for several decades. Tightly bound ligands have higher entropic costs than loosely bound ligands. Quantifying the ligand's

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Calculation of the Maxwell stress tensor and the Poisson-Boltzmann force on a solvated molecular surface using hypersingular boundary integrals

Autor: Lu, B Z, Cheng, X L, Hou, T J, McCammon, J A

Publikováno v: Lu, B Z; Cheng, X L; Hou, T J; & McCammon, J A. (2005). Calculation of the Maxwell stress tensor and the Poisson-Boltzmann force on a solvated molecular surface using hypersingular boundary integrals. Journal of Chemical Physics, 123(8), 084904. UC San Diego: Retrieved from: http://www.escholarship.org/uc/item/7pw159c9

The electrostatic interaction among molecules solvated in ionic solution is governed by the Poisson-Boltzmann equation (PBE). Here the hypersingular integral technique is used in a boundary element method (BEM) for the three-dimensional (3D) linear P

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