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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Abstract: We present the derivation of a new molecular mechanical force field for simulating the structures, conformational energies, and interaction energies of proteins, nucle...
On a Method to Measure Supervised Multiclass Model’s Interpretability: Application to Degradation Diagnosis (Short Paper)
In an industrial maintenance context, degradation diagnosis is the problem of determining the current level of degradation of operating machines based on measurements. With the ...
A Simple, Positive Semi-Definite, Heteroskedasticity and AutocorrelationConsistent Covariance Matrix
This paper describes a simple method of calculating a heteroskedasticity and autocorrelation consistent covariance matrix that is positive semi-definite by construction. It also...
Knowledge of the Firm, Combinative Capabilities, and the Replication of Technology
How should we understand why firms exist? A prevailing view has been that they serve to keep in check the transaction costs arising from the self-interested motivations of indiv...
The PageRank Citation Ranking : Bringing Order to the Web
The importance of a Web page is an inherently subjective matter, which depends on the readers interests, knowledge and attitudes. But there is still much that can be said object...
Photoelectrochemical cells
Until now, photovoltaics — the conversion of sunlight to electrical power — has been dominated by solid-state junction devices, often made of silicon. But this dominance is now ...
Absence of Diffusion in Certain Random Lattices
This paper presents a simple model for such processes as spin diffusion or conduction in the "impurity band." These processes involve transport in a lattice which is in some sen...
Researching Lived Experience: Human Science for an Action Sensitive Pedagogy
Preface Preface to the 2nd Edition 1. Human Science Introduction Why Do Human Science Research? What Is a Hermeneutic Phenomenological Human Science? What Does it Mean to Be Rat...
Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPhotocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected ResultsAmy L. Linsebigler, Guangquan Lu, and John T. Yates Jr.C...