Deciphering the Dynamics of Non-Covalent Interactions Affecting Thermal Stability of a Protein: Molecular Dynamics Study on Point Mutant of Thermus thermophilus Isopropylmalate Dehydrogenase

Cooperative or Anticooperative: How Noncovalent Interactions Influence Each Other

(2015) Soumen Saha et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Perspective on the Protein Thermal Stability: A Case Study Using SAICAR Synthetase

(2013) Kavyashree Manjunath et al.   Journal of Chemical Information and Modeling

Cation−π Interaction: Its Role and Relevance in Chemistry, Biology, and Material Science

(2012) A. Subha Mahadevi et al.   CHEMICAL REVIEWS

Aromatic–Aromatic Interactions Database, A2ID: An analysis of aromatic π-networks in proteins

(2011) Mukesh Chourasia et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Comparison of Computational Methods to Model DNA Minor Groove Binders

(2011) Hemant Kumar Srivastava et al.   Journal of Chemical Information and Modeling

The cooperativity of cation–π and π–π interactions

(2009) Dolly Vijay et al.   CHEMICAL PHYSICS LETTERS

Subtype Selectivity in Phosphodiesterase 4 (PDE4): A Bottleneck in Rational Drug Design

(2008) P. Srivani et al.   CURRENT PHARMACEUTICAL DESIGN

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Key Role of Proximal Water in Regulating Thermostable Proteins

(2008) Fabio Sterpone et al.   JOURNAL OF PHYSICAL CHEMISTRY B