✦ LIBER ✦

Conformational Analysis of Flexible Molecules: Location of the Global Minimum Energy Conformation by the Simulated Annealing Method

✍ Scribed by Stephen R. Wilson; Weili Cui; Jules W. Moskowitz; Kevin E. Schmidt

Book ID: 108381699
Publisher: Elsevier Science
Year: 1988
Tongue: French
Weight: 274 KB
Volume: 29
Category: Article
ISSN: 0040-4039
DOI: 10.1016/s0040-4039(00)80498-0

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Applications of simulated annealing to t

Applications of simulated annealing to the conformational analysis of flexible molecules

✍ Stephen R. Wilson; Weili Cui; Jules W. Moskowitz; Kevin E. Schmidt 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 716 KB

We describe in this article our solution to the global minimum problem which uses the simulated annealing algorithm of Kirkpatrick. This method is a Metropolis (e-AElkT) Monte Carlo sampling of conformation space with simultaneous constraint of the search by lowering the temperature T so that the se

Accessing the global minimum conformatio

Accessing the global minimum conformation of stefin A dimer by annealing under partially denaturing conditions

✍ Roman Jerala; Eva Žerovnik 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 311 KB

Calculation of the minimum energy confor

Calculation of the minimum energy conformation of biomolecules by using a global optimization technique. V. Preferred conformations of the thyrotropin-releasing hormone

✍ Gita Subba Rao; R. S. Tyagi; R. K. Mishra 📂 Article 📅 1986 🏛 John Wiley and Sons 🌐 English ⚖ 231 KB

On the multiple-minima problem in the co

On the multiple-minima problem in the conformational analysis of molecules: deformation of the potential energy hypersurface by the diffusion equation method

✍ Piela, Lucjan; Kostrowicki, Jaroslaw; Scheraga, Harold A. 📂 Article 📅 1989 🏛 American Chemical Society 🌐 English ⚖ 908 KB

Conformational analysis. LXIV. Calculati

Conformational analysis. LXIV. Calculation of the structures and energies of unsaturated hydrocarbons by the Westheimer method

✍ Allinger, Norman L.; Hirsch, Jerry A.; Miller, Mary Ann.; Tyminski, Irene J. 📂 Article 📅 1968 🏛 American Chemical Society 🌐 English ⚖ 940 KB

A CoMFA analysis with conformational pro

A CoMFA analysis with conformational propensity: An attempt to analyze the SAR of a set of molecules with different conformational flexibility using a 3D-QSAR method

✍ Keigo Gohda; Ichiro Mori; Daisaku Ohta; Takeshi Kikuchi 📂 Article 📅 2000 🏛 Springer Netherlands 🌐 English ⚖ 235 KB