In this paper, a model based on genetic algorithms for protein folding prediction is proposed. The most important features of the proposed approach are: i) Heuristic secondary str...
Sergio Raul Duarte Torres, David Camilo Becerra Ro...
We present a simple and scalable algorithm for maximum-margin estimation of structured output models, including an important class of Markov networks and combinatorial models. We ...
Benjamin Taskar, Simon Lacoste-Julien, Michael I. ...
We describe a new method to predict the tertiary structure of new-fold proteins. Our two-phase approach combines the knowledge-based fragmentpacking with the minimization of a phy...
Jinhui Ding, Elizabeth Eskow, Nelson L. Max, Silvi...
High performance liquid chromatography (HPLC) with ultraviolet (UV) spectrophotometric detection is a common method for analyzing reaction products in organic chemistry. This proc...
William L. Fitch, Malcolm McGregor, Alan R. Katrit...
We present a structured output prediction approach for classifying potential anti-cancer drugs. Our QSAR model takes as input a description of a molecule and predicts the activity...