Results 271 to 280 of about 1,836,547 (316)

Exploring the Scoring Function Space

2019
In the analysis of protein-ligand interactions, two abstractions have been widely employed to build a systematic approach to analyze these complexes: protein and chemical spaces. The pioneering idea of the protein space dates back to 1970, and the chemical space is newer, later 1990s.
Gabriela, Bitencourt-Ferreira, Walter Filgueira, de Azevedo   +1 more
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Functional Scoring of the Binocular Field

Ophthalmology, 1982
A new method for evaluating the total (BINOCULAR) field is based on FUNCTION instead of on anatomy. According to the author's theory of relative values, certain areas of the field are functionally more important than others in human activity.
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Scoring Functions – the First 100 Years

Journal of Computer-Aided Molecular Design, 2005
The use of simple linear mathematical models to estimate chemical properties is not a new idea. Albert Einstein used very simple 'gravity-like' forces to explain the capillarity of different liquids in 1900-1901. Today such models are used in more complicated situations, and a great many have been developed to analyse interactions between proteins and ...
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Theory of docking scores and its application to a customizable scoring function

SAR and QSAR in Environmental Research, 2010
In general, the docking scoring tends to have a size dependence related to the ranking of compounds. In this paper, we describe a novel method of parameter optimization for docking scores which reduce the size dependence and can efficiently discriminate active compounds from chemical databases.
O, Takahashi, Y, Masuda, A, Muroya, T, Furuya   +3 more
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Scoring functions: A view from the bench

Journal of Computer-Aided Molecular Design, 1999
Computational approaches to drug design are presently hindered by the complexity of the physical chemistry which underlies weak, non-covalent interactions between protein targets and small molecule ligands. Although a number of programs are now available for the design of novel potential ligands, it remains a key problem to rank these rapidly and ...
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Scoring Systems for Evaluating Ankle Function

Foot and Ankle Clinics, 2006
Each of the seven systems described has advantages and drawbacks that consist of ease or difficulty of application, accuracy, validity, and availability. This article should contribute to make these systems better known and easier to apply, and thus, will encourage their use in clinical practice. [Fig.: see text].
Gideon, Mann, Meir, Nyska, Iftach, Hetsroni, Jon, Karlsson   +3 more
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A novel scoring function for molecular docking

Journal of Computer-Aided Molecular Design, 2003
We present a novel scoring function for docking of small molecules to protein binding sites. The scoring function is based on a combination of two main approaches used in the field, the empirical and knowledge-based approaches. To calibrate the scoring function we used an iterative procedure in which a ligand's position and its score were determined ...
Andrey E. Muryshev, D. N. Tarasov, A. V. Butygin, O. Yu. Butygina, A. B. Aleksandrov, S. M. Nikitin   +5 more
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Switchbox routing using score function

Integration, 1989
Abstract A new heuristic algorithm, namely Score Function Switchbox Router, is proposed for the switchbox routing problem. It considers routing from the boundary of the switchbox inward using techniques such as figure of merit (or score function), unique route detection, and minimal rectilinear Steiner tree to achieve the three objectives of entire ...
Tan, K.-P., Tan, T.-S.
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Induction of rule-based scoring functions

SMC'98 Conference Proceedings. 1998 IEEE International Conference on Systems, Man, and Cybernetics (Cat. No.98CH36218), 2002
We consider the problem that many portfolio managers face of selecting, on a regular basis, stocks for investment and recommendation to clients. In typical solution strategies, binary rules are developed to classify stocks as strong or weak performers based on technical indicators.
Silla Mullei, Peter A. Beling
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Scoring systems for the functional assessment of the shoulder

Arthroscopy, 2003
Abstract A number of instruments have been developed to measure the quality of life in patients with various conditions of the shoulder. Older instruments appear to have been developed at a time when little information was available on the appropriate methodology for instrument development.
Alexandra, Kirkley, Sharon, Griffin, Katie, Dainty   +2 more
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