We analyze entropic and energetic components of the hydration free energy (HFE) for hydrophobic and hydrophilic solutes under isochoric condition using the angle-dependent integral equation theory combined with a multipolar water model. The entrop...
NUCLEIC ACIDS RESEARCH 42(11) 6861-6875 2014年 [査読有り]
It is a central issue to elucidate the new type of molecular recognition accompanied by a global structural change of a molecule upon binding to its targets. Here we investigate the driving force for the binding of R12 (a ribonucleic acid aptamer)...
JOURNAL OF CHEMICAL PHYSICS 139(20) 205102 2013年11月 [査読有り]
Insertion and release of a solute into and from a vessel comprising biopolymers is a fundamental function in a biological system. A typical example is found in a multidrug efflux transporter. "Multidrug efflux" signifies that solutes such as drug ...
JOURNAL OF CHEMICAL PHYSICS 138(24) 245101 2013年6月 [査読有り]
It is experimentally known that the heat-denaturation temperature of a protein is raised (i.e., its thermal stability is enhanced) by sugar addition. In earlier works, we proposed a physical picture of thermal denaturation of proteins in which the...
CHEMICAL PHYSICS LETTERS 561 159-165 2013年3月 [査読有り]
Insertion and release of a solute into and from a cylindrical vessel comprising biopolymers is a fundamental function in biological systems. In earlier works, we reported that the solvent-entropy (SE) effect plays imperative roles for insertion. H...
大学本部
理学研究科