Results 241 to 250 of about 30,351 (277)

General Theory of Superexchange in Molecules

ChemInform, 2006
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Curely, J., Barbara, B.
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A General Procedure for Generation of Curved DNA Molecules

Journal of Biomolecular Structure and Dynamics, 1988
A general method for generation of base-pairs in a curved DNA structure, for any prescribed values of helical parameters--unit rise (h), unit twist (theta), wedge roll (theta R) and wedge tilt (theta T), propeller twist (theta p) and displacement (D) is described.
Bhattacharya, D, Bansal, Manju
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Molecules: General Aspects

2007
In this Chapter we shall discuss the general aspects of the first state of “bonded matter”, the aggregation of a few atoms to form a molecule. The related issues are also relevant for biology, medicine, astronomy etc. The knowledge of the quantum properties of the electronic states in molecules is the basis in order to create new materials, as the ones
Attilio Rigamonti, Pietro Carretta
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Generalizations of the Toda molecule

Physica A: Statistical Mechanics and its Applications, 1986
Abstract Finite-energy monopole solutions are constructed for the self-dual equations with spherical symmetry in an arbitrary integer graded Lie algebra. The constraint of spherical symmetry in a complex noncoordinate basis leads to a dimensional reduction.
W.P.G. Van Velthoven, F.A. Bais
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Computation of Generating Functions for Biological Molecules

SIAM Journal on Applied Mathematics, 1980
The object of this paper is to give algorithms and techniques for computing generating functions of certain RNA configurations. Combinatorics and symbolic computation are utilized to calculate the generating functions for small RNA molecules. From these generating functions, it is possible to obtain information about the bonding and structure of the ...
Howell, J. A., Smith, T. F., Waterman, M. S.   +2 more
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The generator coordinate approximation for molecules: A review

Journal of Mathematical Chemistry, 1991
The generator coordinate approximation is a non-adiabatic theory of molecular systems. Its fundamental outlines were developed during the 1970's. A further analysis and first applications were published during the 1980's. In this paper, we review the present status of the theory.
Broeckhove, J., Lathouwers, L., van Leuven, P.   +2 more
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Reinforced Molecule Generation with Heterogeneous States

2019 IEEE International Conference on Data Mining (ICDM), 2019
De novo molecular design and generation are frequently prescribed in the field of chemistry and biology, for it plays a critical role in maintaining the prosperity of the chemical industry and benefiting the drug discovery. In recent years, reinforcement learning-based methods leverage graphs to represent molecules and generate molecules as a decision ...
Fangzhou Shi, Shan You, Chang Xu 0002
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The generation of lipid signaling molecules in the nucleus

Progress in Lipid Research, 1999
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A. M. Martelli, CAPITANI, Silvano, NERI, Luca Maria   +2 more
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MGOL: Molecule Generation With Ordering Loss

IEEE Transactions on Computational Biology and Bioinformatics
The discovery of new pharmaceutical drugs remains an essential yet costly, time-consuming task in biomedical research. Recent developments in machine learning and bioinformatics have significantly accelerated this process. State-of-the-art approaches employ neural networks to optimize latent space vectors representing target molecules.
Vincent Huang 0005, Yongliang Zeng, Selim Yahia-Messaoud, Wenming Yang, Dong-Qing Wei   +4 more
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Antigen Presentation for the Generation of Binding Molecules

2012
In the last few decades, several new methods have been established to isolate full antibodies and fragments thereof, some even using alternative scaffolds from in vivo and in vitro sources. These methods encompass robust techniques including immunization and hybridoma technology or phage display and also more laborious and novel approaches including ...
Ebersbach, Hilmar, Proetzel, Gabriele, Zhang, Chonghui   +2 more
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