Modelling of Lysozyme Binding to a Cation Exchange Surface at Atomic Detail: The Role of Flexibility

Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins

Piotr Cieplak, Wendy D. Cornell, Christopher I. Bayly et al. · Journal of Computational Chemistry · 1995 · 1K citations

Natural Sciences, Biochemistry, Biophysics +17

Extending the Applicability of the Nonlinear Poisson−Boltzmann Equation:  Multiple Dielectric Constants and Multivalent Ions

Walter Rocchia, Emil Alexov, Barry Honig · The Journal of Physical Chemistry B · 2001 · 829 citations

Natural Sciences, Chemistry, Physics +10

Rapid grid‐based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: Applications to the molecular systems and geometric objects

Walter Rocchia, S. Sridharan, Anthony Nicholls et al. · Journal of Computational Chemistry · 2001 · 689 citations

Natural Sciences, Chemistry, Physics +17

Molecular simulation of protein adsorption and desorption on hydroxyapatite surfaces

Jia‐Wei Shen, Tao Wu, Qi Wang et al. · Biomaterials · 2007 · 277 citations

Natural Sciences, Materials Engineering, Materials Science +16

A refined solution structure of hen lysozyme determined using residual dipolar coupling data

Harald Schwalbe, Shaun B. Grimshaw, Andrew Spencer et al. · Protein Science · 2001 · 178 citations · Full text

Life Sciences, Biochemistry, Biophysics +15