Reconstructing potential energy functions from simulated force-induced unbinding processes
نویسندگان
چکیده
منابع مشابه
Potential energy functions: from consistent force fields to spectroscopically determined polarizable force fields.
We review our methodology for producing physically accurate potential energy functions, particularly relevant in the context of Lifson's goal of including frequency agreement as one of the criteria of a self-consistent force field. Our spectroscopically determined force field (SDFF) procedure guarantees such agreement by imposing it as an initial constraint on parameter optimization, and accomp...
متن کاملProtein-protein unbinding induced by force: single-molecule studies.
Experiments in which two specifically interacting protein molecules are dissociated by external force have yielded new insights into mechanisms involved in cell adhesion, leukocyte rolling, regulation of integrin activity, antigen-antibody interactions and other protein-mediated reactions contingent upon molecular recognition. Another important aspect of force-induced protein-protein unbinding ...
متن کاملFree energy evaluation of the p53-Mdm2 complex from unbinding work measured by dynamic force spectroscopy.
The complex between the tumor suppressor p53 and its down-regulator Mdm2 has been studied by dynamic force spectroscopy and the unbinding data have been analyzed in the framework of the Jarzynski theoretical approach. Accordingly, the unbinding equilibrium free energy has been determined from the work done along several non-equilibrium paths from the bound to the unbound state in the single mol...
متن کاملReconstructing Functions from Random Samples
From a sufficiently large point sample lying on a compact Riemannian submanifold of Euclidean space, one can construct a simplicial complex which is homotopy-equivalent to that manifold with high confidence. We describe a corresponding result for a Lipschitz-continuous function between two such manifolds. That is, we outline the construction of a simplicial map which recovers the induced maps o...
متن کاملReconstructing force-dynamic models from video sequences
This paper presents a method for recovering the support, contact, and attachment (i.e., force dynamic) relations between objects depicted in video sequences. It first presents a stability-analysis procedure that determines whether a configuration of observed objects is stable under a given interpretation using a reduction to linear programming. It then presents a model-reconstruction procedure ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Biophysical Journal
سال: 1997
ISSN: 0006-3495
DOI: 10.1016/s0006-3495(97)78161-x