Literature DB >> 16578718

Classical statistical mechanics of constraints: a theorem and application to polymers.

M Fixman1.   

Abstract

A classical system of mass points subject to holonomic constraints has a kinetic energy dependent on the coordinates as well as the moments of the remaining degrees of freedom. Coordinate averages formed in the reduced space of unconstrained coordinates and their conjugate momenta then involve a metric determinant that may be difficult to evaluate. A theorem is derived that permits a relatively easy evaluation when the constraints are distances between particles, and an application is made to a Kramers type freely jointed chain.

Entities:  

Year:  1974        PMID: 16578718      PMCID: PMC388618          DOI: 10.1073/pnas.71.8.3050

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  21 in total

1.  A Lie-Theoretic Perspective on O(n) Mass Matrix Inversion for Serial Manipulators and Polypeptide Chains.

Authors:  Kiju Lee; Yunfeng Wang; Gregory S Chirikjian
Journal:  Robotica       Date:  2007-11-01       Impact factor: 2.088

2.  Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations.

Authors:  Saugat Kandel; Romelia Salomon-Ferrer; Adrien B Larsen; Abhinandan Jain; Nagarajan Vaidehi
Journal:  J Chem Phys       Date:  2016-01-28       Impact factor: 3.488

3.  The transition between the B and Z conformations of DNA investigated by targeted molecular dynamics simulations with explicit solvation.

Authors:  Mika A Kastenholz; Thomas U Schwartz; Philippe H Hünenberger
Journal:  Biophys J       Date:  2006-10-15       Impact factor: 4.033

4.  Fixman compensating potential for general branched molecules.

Authors:  Abhinandan Jain; Saugat Kandel; Jeffrey Wagner; Adrien Larsen; Nagarajan Vaidehi
Journal:  J Chem Phys       Date:  2013-12-28       Impact factor: 3.488

5.  Nonlinearity in DNA and its relation to specific functions.

Authors:  Boian Alexandrov; Kim Ø Rasmussen; Alan R Bishop
Journal:  J Biol Phys       Date:  2009-02-25       Impact factor: 1.365

6.  GneimoSim: a modular internal coordinates molecular dynamics simulation package.

Authors:  Adrien B Larsen; Jeffrey R Wagner; Saugat Kandel; Romelia Salomon-Ferrer; Nagarajan Vaidehi; Abhinandan Jain
Journal:  J Comput Chem       Date:  2014-09-27       Impact factor: 3.376

7.  Exact Relation between Potential of Mean Force and Free-Energy Profile.

Authors:  Kin-Yiu Wong; Darrin M York
Journal:  J Chem Theory Comput       Date:  2012-09-06       Impact factor: 6.006

8.  Equipartition Principle for Internal Coordinate Molecular Dynamics.

Authors:  Abhinandan Jain; In-Hee Park; Nagarajan Vaidehi
Journal:  J Chem Theory Comput       Date:  2012-07-05       Impact factor: 6.006

9.  A simple molecular mechanics integrator in mixed rigid body and dihedral angle space.

Authors:  Andreas Vitalis; Rohit V Pappu
Journal:  J Chem Phys       Date:  2014-07-21       Impact factor: 3.488

10.  Advanced techniques for constrained internal coordinate molecular dynamics.

Authors:  Jeffrey R Wagner; Gouthaman S Balaraman; Michiel J M Niesen; Adrien B Larsen; Abhinandan Jain; Nagarajan Vaidehi
Journal:  J Comput Chem       Date:  2013-01-23       Impact factor: 3.376

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