A. Rashin

发表

On the calculation of electrostatic interactions in proteins.

B. Honig, M. Gilson, A. Rashin, 1985, Journal of molecular biology.

Criteria that discriminate between native proteins and incorrectly folded models

R. Bruccoleri, A. Rashin, J. Novotný, 1988, Proteins.

Factors correlating with significant differences between X-ray structures of myoglobin.

Robert L Jernigan, Maksymilian Chruszcz, Wladek Minor, 2014, Acta crystallographica. Section D, Biological crystallography.

Evaluating the energetics of empty cavities and internal mutations in proteins

R Abagyan, R. Abagyan, A. Rashin, 1997, Protein science : a publication of the Protein Society.

Protein flexibility: coordinate uncertainties and interpretation of structural differences.

Robert L Jernigan, A. Rashin, R. Jernigan, 2009, Acta crystallographica. Section D, Biological crystallography.

A model of myoglobin self-organization.

O. Ptitsyn, A. Rashin, 1975, Biophysical chemistry.

Hydration phenomena, classical electrostatics, and the boundary element method

Alexander A. Rashin, A. Rashin, 1990 .

Calculation of Absolute and Relative Acidities of Substituted Imidazoles in Aqueous Solvent

A. Rashin, I. Topol, S. Burt, 1997 .

Calculations of pK differences between structurally similar compounds

A. Rashin, J. Rabinowitz, J. Banfelder, 1990 .

Incorporation of reaction field effects into density functional calculations for molecules of arbitrary shape in solution

Michael A. Bukatin, A. T. Hagler, Alexander A. Rashin, 1994 .

A simple method for the calculation of hydration enthalpies of polar molecules with arbitrary shapes

Alexander A. Rashin, A. Rashin, K. Namboodiri, 1987 .

Internal cavities and buried waters in globular proteins.

B Honig, B. Honig, A. Rashin, 1986, Biochemistry.

Continuum electrostatics of the C‐peptide: Anatomy of the problem

A. Rashin, A A Rashin, 1992, Proteins.

Electrostatics of ion-ion interactions in solution

A. Rashin, 1989 .

alpha- and 3(10)-helix interconversion: a quantum-chemical study on polyalanine systems in the gas phase and in aqueous solvent.

A. Rashin, A. Perczel, I. Csizmadia, 2001, Journal of the American Chemical Society.

Independent folding of the carboxyl-terminal fragment 228-316 of thermolysin.

A. Rashin, C. Vita, A. Fontana, 1984, Biochemistry.

Reevaluation of the Born model of ion hydration

Barry Honig, Alexander A. Rashin, B. Honig, 1985 .

Aspects of protein energetics and dynamics.

A. Rashin, A A Rashin, 1993, Progress in biophysics and molecular biology.

Continuum-based calculations of hydration entropies and the hydrophobic effect

Michael A. Bukatin, Alexander A. Rashin, A. Rashin, 1991 .

Correlation between calculated local stability and hydrogen exchange rates in proteins.

A. Rashin, 1987, Journal of molecular biology.

On the environment of ionizable groups in globular proteins.

B. Honig, A. Rashin, 1984, Journal of molecular biology.

Location of domains in globular proteins

Alexander A. Rashin, A. Rashin, 1981, Nature.

Calculation of the aqueous solvation free energy of the proton

A. Rashin, I. Topol, S. Burt, 1998 .

Magnitude of hydration entropies of nonpolar and polar molecules

A. Rashin, M. Bukatin, 1994 .

Diversity of function-related conformational changes in proteins: coordinate uncertainty, fragment rigidity, and stability.

A. Rashin, R. Jernigan, Abraham Rashin, 2010, Biochemistry.

On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model

A. Rashin, I. Topol, S. Burt, 1999 .

Clusters of Structurally Similar MHC I HLA-A2 Molecules, Found with a New Method, Suggest Mechanisms of T-Cell Receptor Avidity.

A. Rashin, R. Jernigan, 2016, Biochemistry.

New method for the computation of ionic distribution around rod‐like polyelectrolytes with the helical distribution of charges. I. General approach and a nonlinearized Poisson–Boltzmann equation

Alexander A. Rashin, A. Rashin, Joseph Malinsky, 1991 .

Surface hydrophobic groups, stability, and flip‐flopping in lattice proteins

A. Rashin, Abraham Rashin, 2006, Proteins.

Buried surface area, conformational entropy, and protein stability

A. Rashin, A A Rashin, 1984, Biopolymers.

Continuum electrostatics and hydration phenomena

A. Rashin, 1988 .

Lattice models, packing density, and Boltzmann‐like distribution of cavities in proteins

A. Rashin, Abraham Rashin, 2004, Proteins.

Can contemporary density functional theory yield accurate thermodynamics for hydrogen bonding

Stanley K. Burt, Igor A. Topol, A. Rashin, 1995 .

MYOGLOBIN AS A MODEL OF PROTEIN FOLDING

A. Rashin, 1981 .

Towards theoretical prediction of protein quaternary structure

A. Rashin, B. H. Yudman, 1979, FEBS letters.

Charge distributions in water and ion–water clusters

A. Rashin, I. Topol, S. Burt, 2001 .

Calculations of hydration entropies of alkali and halide ions based on the continuum approach

A. Rashin, M. Bukatin, 1993 .