Direct evaluation of individual hydrogen bond energy in situ in intra- and intermolecular multiple hydrogen bonds system

Development of a Polarizable Force Field Using Multiple Fluctuating Charges per Atom

(2010) Dong-Xia Zhao et al.   Journal of Chemical Theory and Computation

A Transferable H-Bonding Correction for Semiempirical Quantum-Chemical Methods

(2009) Martin Korth et al.   Journal of Chemical Theory and Computation

An analytic potential energy function for the amide-amide and amide-water intermolecular hydrogen bonds in peptides

(2009) Chang-Liang Sun et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Halogen Bonding: A Study based on the Electronic Charge Density

(2009) Nancy J. Martinez Amezaga et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reversible folding/unfolding of small a-helix in explicit solvent investigated by ABEEMσπ/MM

(2009) Cui Liu et al.   Science in China. Series B, Chemistry

Predicting Hydrogen-Bond Strengths from Acid−Base Molecular Properties. The pKaSlide Rule: Toward the Solution of a Long-Lasting Problem

(2008) Paola Gilli et al.   ACCOUNTS OF CHEMICAL RESEARCH

Developing Polarized Protein-Specific Charges for Protein Dynamics: MD Free Energy Calculation of pKa Shifts for Asp26/Asp20 in Thioredoxin

(2008) Changge Ji et al.   BIOPHYSICAL JOURNAL

Attractive Strain:  The Disadvantages of Rigid Multiple H-Bond Donors and Acceptors. A Theoretical Analysis of the Hydrogen-Bonding Interactions in Complexes of Tetraazaanthracenedione with Pyridylureas

(2008) Antonio Oliva et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Protein Polarization Is Critical to Stabilizing AF-2 and Helix-2′ Domains in Ligand Binding to PPAR-γ

(2008) C. G. Ji et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Intramolecular Hydrogen Bonding and Cooperative Interactions in Carbohydrates via the Molecular Tailoring Approach

(2007) Milind M. Deshmukh et al.   JOURNAL OF PHYSICAL CHEMISTRY A