Title of article :
Novel Treatment of Conformational Flexibility Using Interval Analysis
Author/Authors :
Szabo، Zsuzsanna نويسنده , , Vargyas، Mikios نويسنده , , Johnson، A. Peter نويسنده ,
Issue Information :
دوماهنامه با شماره پیاپی سال 2000
Abstract :
A revolutionary new flexible conformational search technique is presented together with its application to geometrical docking. The algorithm is guaranteed to find all (even an infinite number of) solutions in a continuous manner. Examples are given using 2-(4ʹ-amidinophenyl)pyruvate (APPA) docked to trypsin. Other potential applications are briefly discussed.
Keywords :
Fullerenes , Organic compounds , Chemical synthesis , Infrared spectroscopy , Electronic paramagnetic resonance (EPR)
Journal title :
Journal of Chemical Information and Computer Sciences
Journal title :
Journal of Chemical Information and Computer Sciences
