نتایج جستجو برای: molecular mechanics poisson

تعداد نتایج: 798426  

2007
Alan Weinstein

Alan Weinstein office 825 Evans 642-3518 [email protected] OH: T 9:40-11, R 12:40-2 math.berkeley.edu/~alanw bspace.berkeley.edu GSI(sorta):Christian Bloman? orbit method in representation theory. symplectic geometry and algebraic geometry. moment maps. Attiya. 90s. conformal field theory. Syberg-Witten theory. Poisson bracket ... lie algebra structure. Leads to Poisson geometry. Mechanic...

1999
J. L. LÓPEZ J. Soler

Using an appropriate scaling group for the 3-D Schrödinger–Poisson equation and the equivalence between the Schrödinger formalism and the Wigner representation of quantum mechanics it is proved that, when time goes to infinity, the limit of the rescaled self-consistent potential can be identified as the Coulomb potential. As a consequence, Schrödinger–Poisson and Wigner–Poisson systems are asym...

2001
Hernán Cendra Jerrold E. Marsden Tudor S. Ratiu

This paper surveys selected recent progress in geometric mechanics, focussing on Lagrangian reduction and gives some new applications to nonholonomic systems, that is, mechanical systems with constraints typified by rolling without slipping. Reduction theory for mechanical systems with symmetry has its roots in the classical works in mechanics of Euler, Jacobi, Lagrange, Hamilton, Routh, Poinca...

Dasatinib is a tyrosine kinase inhibitor (TKI) that is used to treat chronic myeloid leukemia and in the management of ulcerative colitis (UC) and to provide appropriate results in treatment. Dasatinib is significantly higher and faster than full cytogenetic and large molecular responses as compared to imatinib. In the recent study, using the NMR data, the frequency and thermochemical propertie...

Journal: :Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 2021

Valproic Acid (VPA) is a widely used drug, particularly in neuropsychiatric disorders, while showing promise other types of diseases such as cancer. VPA metabolism via cytochrome P450 (CYP) pathway responsible from only ~10% the total drug dose. However, due to high risk severe adverse reactions liver and pancreas, interaction with CYP2C9 remains be delineated chiefly mutants. Hence, here we im...

2006
A. Lavagno Narayana Swamy

On the basis of the non-commutative q-calculus, we investigate a q-deformation of the classical Poisson bracket in order to formulate a generalized q-deformed dynamics in the classical regime. The obtained q-deformed Poisson bracket appears invariant under the action of the q-symplectic group of transformations. In this framework we introduce the q-deformed Hamilton’s equations and we derive th...

Journal: :Journal of medicinal chemistry 2009
Scott P Brown Steven W Muchmore

We apply a high-throughput formulation of the molecular mechanics with Poisson-Boltzmann surface area (htMM-PBSA) to estimate relative binding potencies on a set of 308 small-molecule ligands in complex with the proteins urokinase, PTP-1B, and Chk-1. We observe statistically significant correlation to experimentally measured potencies and report correlation coefficients for the three proteins i...

2003
A.E.F. DJEMAÏ Abdus Salam

In this work, I investigate the noncommutative Poisson algebra of classical observables corresponding to a proposed general Noncommutative Quantum Mechanics, [1]. I treat some classical systems with various potentials and some Physical interpretations are given concerning the presence of noncommutativity at large scales (Celeste Mechanics) directly tied to the one present at small scales (Quant...

2012
Dhananjay C. Joshi

Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtai...

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