J. Hermans

发表

Molecular graphics: application to the structure determination of a snake venom neurotoxin.

G. Petsko, D. Tsernoglou, J. E. McQueen, 1977, Science.

Interaction Models for Water in Relation to Protein Hydration

H. Berendsen, J. Hermans, W. F. Gunsteren, 1981 .

Algorithmic Challenges in Computational Molecular Biophysics

Laxmikant V. Kale, Tamar Schlick, Robert D. Skeel, 1999 .

A consistent empirical potential for water–protein interactions

H. Berendsen, W. V. van Gunsteren, J. Hermans, 1984 .

Computer simulation of the dynamics of hydrated protein crystals and its comparison with x-ray data.

H. Berendsen, W. V. van Gunsteren, W. Hol, 1983, Proceedings of the National Academy of Sciences of the United States of America.

Flow Properties of Disperse Systems

J. Hermans, 1954 .

Promise of advances in simulation methods for protein crystallography: implicit solvent models, time-averaging refinement, and quantum mechanical modeling.

Jan Hermans, C. Schiffer, J. Hermans, 2003, Methods in enzymology.

Quantum mechanics simulation of protein dynamics on long timescale

M Elstner, E. Kaxiras, J. Hermans, 2001, Proteins.

ES/IS: estimation of conformational free energy by combining dynamics simulations with explicit solvent with an implicit solvent continuum model.

J. Hermans, Y. Vorobjev, Y N Vorobjev, 1999, Biophysical chemistry.

Representation of a protein molecule as a tree and application to modular computer programs which calculate and modify atomic coordinates

J. Hermans, D. Ferro, J Hermans, 1971, Biopolymers.

Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine “dipeptides” (Ace‐Ala‐Nme and Ace‐Gly‐Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution

J. Hermans, M. Elstner, Hao Hu, 2003, Proteins.

Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model

Jan Hermans, J. Hermans, J. C. Almagro, 1998, Proteins.

Free energies of protein decoys provide insight into determinants of protein stability

J. Hermans, Y. Vorobjev, Y N Vorobjev, 2001, Protein science : a publication of the Protein Society.

Calculation of the pitch of the α‐helical coiled coil: An addendum

J. Hermans, Li Zhang, 1993 .

Simple analysis of noise and hysteresis in (slow-growth) free energy simulations

Jan Hermans, J. Hermans, 1991 .

Excluded‐volume theory of polymer–protein interactions based on polymer chain statistics

Jan Hermans, J. Hermans, 1982 .

The statistics of stiff chains, with applications to light scattering

J. Hermans, R. Ullman, J. J. Hermans, 1952 .

Free energy of helix propagation in short polyalanine chains determined from peptide growth simulations of La3+-binding model peptides. Comparison with experimental data.

J. Hermans, M. Maciejczyk, A. Bierzyński, 2005, Acta biochimica Polonica.

THE APPLICATION OF DENSITY GRADIENT CENTRIFUGATION TO THE PROBLEM OF COMPOSITIONAL DISTRIBUTION IN POLYMERS

J. Hermans, 1969 .

Sedimentation and electrophoresis of porous spheres

J. Hermans, 1955 .

Excess free energy of liquids from molecular dynamics simulations. Application to water models.

J. Hermans, A. Pathiaseril, A. Anderson, 1988, Journal of the American Chemical Society.

Autocorrelation Functions for a Brownian Particle

J. Hermans, T. Chow, 1972 .

Brownian motion of a spherical particle in a compressible fluid

J. Hermans, T. Chow, 1973 .

Effect of inertia on Brownian motion: Reply

J. Hermans, T. Chow, 1973 .

Fibrin gel structure: influence of calcium and covalent cross-linking on the elasticity.

J. Hermans, J. Mcdonagh, L. Shen, 1974, Biochemical and Biophysical Research Communications - BBRC.

Effects of calcium ion and covalent crosslinking on formation and elasticity of fibrin cells.

J. Hermans, M. Carr, J. Mcdonagh, 1975, Thrombosis research.

Size and density of fibrin fibers from turbidity.

J. Hermans, M. Carr, 1978, Macromolecules.

Fibrin Assembly: A Comparison of Electron Microscopic and Light Scattering Results

J. Hermans, H. Erickson, R. Hantgan, 1980, Thrombosis and Haemostasis.

Sodium salts of pectin and of carboxy methyl cellulose in aqueous sodium chloride. I. Viscosities

J. Hermans, D. Pals, 1952 .

Chemical mechanisms in the grafting of cellulose

J. Hermans, 1962 .

Light Scattering by Zig-zag and Worm-like Chains

J. Hermans, 1958 .

Reflections on theories of polymer solutions

J. Hermans, 2007 .

Modeling The Structure of Ice as a Problem in Global Minimization

J. Hermans, 1997 .

Diffusion with discontinuous boundary (1)

J. Hermans, 1947 .

Mass–length ratio of fibrin fibers from gel permeation and light scattering

J. Hermans, M. Carr, Linus L. Shen, 1977, Biopolymers.

Cross-linked fibrinogen dimers demonstrate a feature of the molecular packing in fibrin fibers.

J. Hermans, H. Erickson, R. Hantgan, 1981, Science.

Dependence of the shape of the plasma fibronectin molecule on solvent composition. Ionic strength and glycerol content.

M. Carson, J. Hermans, R. Hantgan, 1983, The Journal of biological chemistry.

Flow Properties of Disperse Systems

J. Hermans, 1954, Nature.

Modeling water-protein interactions in a protein crystal.

J. Hermans, M. Vacatello, 1980, Biophysical journal.

Early events in the plasmin digestion of fibrinogen and fibrin. Effects of plasmin on fibrin polymerization.

J. Hermans, J. Mcdonagh, L. Shen, 1977, The Journal of biological chemistry.

Characterization of the inhibition of fibrin assembly by fibrinogen fragment D.

J. Hermans, R. Hantgan, J. Williams, 1981, The Biochemical journal.

Information Regarding both Molecular‐Weight Distribution and Density Distribution in a Polymer Subjected to Density‐Gradient Centrifugation

J. Hermans, 1963 .

The thermally induced configurational change of ribonuclease in H2O and D2O

H. Scheraga, J. Hermans, 1959 .

Effect of Deuterium on the Strength of Hydrogen Bonds1

H. Scheraga, J. Hermans, M. Calvin, 1959 .

Statistical energy partitioning in dissociation to several products

J. Hermans, T. Baer, A. Depristo, 1982 .

Flow of gels of cellulose microcrystals. I. Random and liquid crystalline gels

J. Hermans, 2007 .

Quantitative evaluation of orientation in cellulose fibres from the X‐ray fibre diagram

J. Hermans, A. Weidinger, D. Vermaas, 2010 .

On the hydrodynamic interaction of twoBrownian particles in a viscous, inert fluid

J. Hermans, T. Chow, 1972 .

Properties of particular membranes. Transport processes in ion-selective membranes. Conductivities transport numbers and electromotive forces

J. Hermans, J. Lorimer, E. I. Boterenbrood, 1956 .

Light scattering by charged particles in electrolyte solutions

J. Hermans, 1949 .

Free energies of protein decoys provide insight into determinants of protein stability

J. Hermans, Y. Vorobjev, 2001, Protein science : a publication of the Protein Society.

The Effect of Non‐Homogeneity of Molecular Weight on the Scattering of Light by High Polymer Solutions

H. Brinkman, J. Hermans, 1949 .

Assembly of fibrin. A light scattering study.

J. Hermans, R. Hantgan, J Hermans, 1979, The Journal of biological chemistry.

Distribution of polymer chain lengths inside a spherical volume: Solution in terms of a diffusion problem

J. Hermans, 1984 .

Determination of the translational diffusivity of detergent micelles from the spectrum of scattered light

J. Hermans, D. Mcqueen, 1972 .

Nonbonded Interatomic Potential Functions and Crystal Structure: Non Hydrogen-Bonded Organic Molecules

J. Hermans, D. Ferro, 1970 .

The Excluded Volume of Polymer Chains

M. Klamkin, J. Hermans, R. Ullman, 1952 .

DIMENSIONS AND HYDRODYNAMIC PROPERTIES OF CELLULOSIC MOLECULES IN DILUTE SOLUTIONS1

J. Hermans, H. J. Marrinan, 1961 .

An estimate of the volume effect in coiling long chain molecules

J. Hermans, 1950 .

Heat of ionization and denaturation of sperm-whale myoglobin determined with a microcalorimeter.

J. Hermans, G. Rialdi, 1965, Biochemistry.

Viscosity and sedimentation in dilute solutions of cellulosic macromolecules

J. Hermans, 2007 .

Some Geometrical Factors in Light-Scattering Apparatus

J. Hermans, S. Levinson, 1951 .

Effect of poly(ethylene glyol) on protein denaturation and model compound pKa 's

J. Hermans, D. Knoll, 1981 .

Structure of the fibrin protofibril.

J. Hermans, H. Erickson, R. Hantgan, 1981, Proceedings of the National Academy of Sciences of the United States of America.

Light scattering and viscosities of chitosan in aqueous solutions of sodium chloride

J. Hermans, P. V. Duin, 1959 .

Structural Studies of Ribonuclease. V. Reversible Change of Configuration1-3

H. Scheraga, J. Hermans, 1961 .

Energy minimizations of rubredoxin.

J. E. McQueen, J. Hermans, J Hermans, 1980, Journal of molecular biology.

Use of Energy Calculations to Refine and Understand Structure and Function of Proteins

Jan Hermans, Dino R. Ferro, John E. McQueen, 1976 .

Dielectric relaxation in dilute solutions of polar chain molecules

J. Hermans, L. V. Beek, 1957 .

Light‐scattering by a number of solvents, in conjunction with data on solutions of Ludox, saccharose‐octa‐acetate, and polystyrene

J. Hermans, H. Trap, 1954 .

Theory of Permeation through Metal Coated Polymer Films

J. Hermans, J. J. Hermans, W. Prins, 1959 .

The calculation of surface viscosity from experimental results

J. Hermans, 1939 .

Methods for the study of reversible denaturation of proteins and interpretation of data.

J. Hermans, 1965, Methods of biochemical analysis.

XXXV. Charged colloid particles in an ultrasonic field

J. Hermans, 1938 .

Reversible denaturation of sperm whale myoglobin. II. Thermodynamic analysis.

J. Hermans, G. Acampora, 1967, Journal of the American Chemical Society.

Reversible denaturation of sperm whale myoglobin. I. Dependence on temperature, pH, and composition.

J. Hermans, G. Acampora, 1967, Journal of the American Chemical Society.

The Stability of Globular Protein

Jan Hermans, C. Pace, J. Hermans, 1975 .

Some relations between the sedimentation equilibrium of a polymer mixture and the distribution with respect to molecular weight and composition

J. Hermans, 1963 .

Heats of Mixing in the System Polyvinylacetate–Toluene

J. Hermans, H. J. A. Schuurmans, 1957 .

Deformation mechanism of cellulose gels. IV. General relationship between orientation of the crystalline and that of the amorphous portion

J. Hermans, A. Weidinger, D. Vermaas, 1948 .

The Dielectric Properties of Simulated Water Droplets

J. Hermans, Lu Wang, 1996 .

Subunit interactions in human plasma fibronectin.

J. Hermans, R. M. Robinson, 1984, Biochemical and biophysical research communications.

Grafting onto cellulose and cellulose derivatives using ultraviolet irradiation

J. Hermans, N. Geacintov, E. W. Abrahamson, 1960 .

The viscosity of concentrated solutions of rigid rodlike molecules (poly-γ-benzyl-l-glutamate in m-cresol)

J. Hermans, 1962 .

The effect of chymotrypsin on the molecular weight of desoxyribonucleic acid preparations.

J. Hermans, 1959, Biochimica et biophysica acta.

The heat of mixing in the system n‐heptane‐n‐hexadecane: Preliminary communication)

J. Hermans, J. V. D. Waals, 2010 .

Thermodynamic Data from Difference Spectra.1,2 II. Hydrogen Bonding in Salicylic Acid and its Implications for Proteins

H. Scheraga, S. Leach, J. Hermans, 1963 .

LVI. Surface phenomena with charged spherical particles when moving in a solvent. Cataphoresis; sedimentation potential

J. Hermans, 1938 .

Intermolecular Potential Function for Periodic Linear Arrays

J. Hermans, R. Mccullough, 1966 .

Concentration dependence of the viscosity of sodium pectinate in solutions NaCl

J. Hermans, D. Pals, 1948 .

Fibrin: Structure and Interactions

J. Hermans, J. McDonagh, 1982, Seminars in thrombosis and hemostasis.

Structure of the fibrin protofibril.

J. Hermans, H. Erickson, R. Hantgan, 1981, Proceedings of the National Academy of Sciences of the United States of America.

Models of fibrin.

J. Hermans, 1979, Proceedings of the National Academy of Sciences of the United States of America.

Structural Studies of Ribonuclease. VI. Abnormal Ionizable Groups1-3

H. Scheraga, J. Hermans, 1961 .

On the conformation of denatured proteins.

J. Hermans, G. Acampora, 1969, Biochemistry.

Nonlinear Viscoelasticity of Concentrated Polymeric Liquids

J. Hermans, G. Marrucci, 1980 .

Precision viscometry of polyvinyl acetate in toluene

J. Hermans, C. Tuijnman, 1957 .

Deformation and swelling of polymer networks containing comparatively long chains

J. Hermans, 1947 .

Dielectric relaxation of polyoxyethylene glycol (POEG) in toluene

J. Hermans, A. Ruigrok, 1958 .

Characterization of soluble polymerized fibrin formed in the presence of excess fibrinogen fragment D.

J. Hermans, R. Hantgan, J. McDonagh, 1984, Biochemistry.

Fibrin formation as a biological assembly process.

J. Hermans, H. Erickson, R. Hantgan, 1980, Biophysical Journal.

The Free Energy of Xenon Binding to Myoglobin from Molecular Dynamics Simulation

J. Hermans, S. Shankar, J. Hermans, 1986 .

Treatment of the folding and unfolding of protein molecules in solution according to a lattice model

J. Hermans, D. Ferro, D. Lohr, 1972 .

Relating side-chain mobility in proteins to rotameric transitions: Insights from molecular dynamics simulations and NMR

Andrew L. Lee, J. Hermans, Hao Hu, 2005, Journal of biomolecular NMR.

Conductivity of solutions of the potassium salts of carboxymethylcellulose and sulfonated polystyrene in the presence of potassium chloride

J. Hermans, R. Longworth, 1957 .

Electrophoresis, conductance, and viscosity of aqueous solutions of carboxymethylcellulose in the presence of sodium chloride

J. Hermans, P. J. Napjus, 1959 .

Light-Scattering by Polymethacrylic Acid and Carboxymethy1cellulose in Various Solvents

J. Hermans, H. Trap, 1954 .

Non‐newtonian flow of dilute polymer solutions: III. Sodium carboxy methyl cellulose in solutions of sodium chloride)

J. Hermans, D. Pals, F. Akkerman, 1952 .

The dimensions of charged long chain molecules in solutions containing electrolytes

J. Hermans, J. Overbeek, 2010 .

The Effect of Protein Denaturants on the Stability of the α Helix1

J. Hermans, 1966 .

New method for deriving the intrinsic viscosity of polyelectrolytes

J. Hermans, D. Pals, 1950 .

Charge Effects in Light-Scattering by Colloid Solutions

J. Hermans, W. Prins, 1955 .

Non-newtonian flow of dilute polymer solutions: I. Outline of the Method

J. Hermans, G. D. Wind, 1951 .

Molecular dynamics simulations of helix and turn propensities in model peptides

J. Hermans, 1993 .

Stability of Folded Conformations by Computer Simulation: Methods and Some Applications

R. H. Yun, J. Hermans, A. Anderson, 1990 .

The amino acid dipeptide: Small but still influential after 50 years

Jan Hermans, J. Hermans, 2011, Proceedings of the National Academy of Sciences.

Conformational statistics of short chains of poly(L‐alanine) and poly(glycine) generated by Monte Carlo method and the partition function of chains with constrained ends

J. Hermans, S. Premilat, 1973 .

Charge‐Induced Effects on Acid–Base Titration and Conformational Stability of Proteins and Polypeptides

J. Hermans, 2012 .

Calorimetric heat of the helix-coil transition of poly-L-glutamic acid.

J. Hermans, G. Rialdi, 1966, Journal of the American Chemical Society.

Experimental free energy and enthalpy of formation of the alpha-helix.

J. Hermans, 1966, The Journal of physical chemistry.

The Dielectric Constants of Nonconducting Suspensions

J. Hermans, J. M. Peterson, 1969 .

Flow of gels of cellulose microcrystals. II. Effect of added electrolyte

J. Hermans, M. Edelson, 2007 .

Orthokinetic coagulation due to oscillations

J. Hermans, 2010 .

Influence of catalyst depletion or deactivation on polymerization kinetics. II. Nonsteady‐state polymerization

J. Hermans, R. Chiang, 1966 .

Computational Molecular Dynamics: Challenges, Methods, Ideas

Benedict Leimkuhler, Peter Deuflhard, Robert D. Skeel, 1999, Computational Molecular Dynamics.

Relaxation effects in the double layer. Cataphoresis; dielectric constant

J. Hermans, 1940 .

The influence of an ultrasonic field on the rate of coagulation of negative AgJ‐sols by electrolytes

J. Hermans, 2010 .

The diffusion of an electrolyte: II. Experimental part

J. Hermans, 2010 .

The influence of an alternating electric field on the rate of coagulation. II. Sols of tungstic acid

J. Hermans, 2010 .

Internal Hydrogen Bonding in Ribonuclease

H. Scheraga, J. Hermans, C. Schildkraut, 1960 .

Density of cellulose fibers. II. Density and refractivity of model filaments

J. Hermans, D. Vermaas, P. H. Hermans, 1946 .

The Effect of Dry Friction on the Oscillatory Behavior of Fabrics

J. Hermans, T. Chow, 1970 .

Active Species for the Ground-State Complex of Cytidine Deaminase: A Linear-Scaling Quantum Mechanical Investigation

C. Carter, J. Hermans, Weitao Yang, 1998 .

Computer manipulation of (macro)molecules with the method of local change

J. E. McQueen, J. Hermans, J. Hermans, 1974 .

Unfolding and Hydrogen Exchange of Proteins: the Three-dimensional Ising Lattice as a Model

J. Hermans, JAN HERMANS, DENNIS LOHR, 1969, Nature.

Structural Studies of Ribonuclease. IV. The Near Infrared Absorption of the Hydrogen-Bonded Peptide NH Group1,2

H. Scheraga, J. Hermans, 1960 .

Fluctuation‐dissipation theorems on the basis of hydrodynamic propagators

H. Szu, J. Hermans, S. Szu, 1974 .

Effect of Inertia on the Brownian Motion of Rigid Particles in a Viscous Fluid

J. Hermans, T. Chow, 1972 .

Capillary Instability of a Thin Annular Layer of Liquid around a Solid Cylinder

J. Hermans, J. Dumbleton, 1970 .

LVII. Charged colloid particles in an ultrasonic field —II. Particles surrounded by a thin double layer

J. Hermans, 1938 .

Proline in α‐helix: Stability and conformation studied by dynamics simulation

R. H. Yun, J. Hermans, A. Anderson, 1991 .

Simulating water with the self-consistent-charge density functional tight binding method: from molecular clusters to the liquid state.

Hao Hu, Jan Hermans, Marcus Elstner, 2007, The journal of physical chemistry. A.

Role of fibrinopeptide B release: comparison of fibrins produced by thrombin and Ancrod.

J. Hermans, J. Mcdonagh, L. Shen, 1977, The American journal of physiology.

Boltzmann‐type distribution of side‐chain conformation in proteins

Jan Hermans, Glenn L Butterfoss, J. Hermans, 2003, Protein science : a publication of the Protein Society.

A different best rigid-body molecular fit routine

J. Hermans, J. Hermans, D. R. Ferro, 1977 .

Beta poly(L-lysine): a model system for biological self-assembly.

J. Hermans, R. C. Schwaner, R. Hartman, 1974, Journal of molecular biology.

Potentiometric titration of poly‐L‐lysine: the coil‐to‐β transition

J. Hermans, D. Pederson, D. Gabriel, 1971 .

The swelling of cellulose xanthate gels in dilute salt solutions

J. Hermans, D. Vermaas, 1948 .

Statistical thermodynamics of swollen polymer networks

J. Hermans, 1962 .

The structure and the mechanism of deformation in cellulose gels. II. Application of the theory to short chains

J. Hermans, 1946 .

REACTION FIELD MOLECULAR DYNAMICS SIMULATION WITH FRIEDMAN'S IMAGE CHARGE METHOD

J. Hermans, Lu Wang, 1995 .

The role of inertia in transport properties of suspensions

J. Hermans, 1977 .

A virtual environment for steered molecular dynamics

Lars S. Nyland, Jan Prins, Martin Simons, 1999, Future Gener. Comput. Syst..

Relative effects of primary and tertiary structure on helix formation in myoglobin and α‐lactalbumin

J. Hermans, D. Puett, J Hermans, 1971 .

Density of cellulose fibers. III. Density and refractivity of natural fibers and rayon

J. Hermans, D. Vermaas, P. H. Hermans, 1946 .

Optical properties of the system cellulose-water: A contribution to the optics of swollen gels☆

J. Hermans, D. Vermaas, P. H. Hermans, 1946 .

Semiempirical energy calculations on model compounds of polypeptides. Crystal structures of DL‐acetylleucine N‐methylamide and DL‐acetyl‐amino‐n‐butyric acid N‐methylamide

J. Hermans, D. Ferro, 1972, Biopolymers.

310 HELIX VERSUS ALPHA -HELIX : A MOLECULAR DYNAMICS STUDY OF CONFORMATIONAL PREFERENCES OF AIB AND ALANINE

J. Hermans, Li Zhang, 1994 .

Hydrodynamics and light scattering

J. Hermans, 1978 .

Physical aspects governing the design of hollow fiber modules

J. Hermans, J. J. Hermans, 1978 .

Density gradient centrifugation of a mixture of polymers differing in molecular weight and specific volume

J. Hermans, 2007 .

Herman Berendsen: Researcher, teacher, scholar, colleague, skipper

W. V. van Gunsteren, J. Hermans, 1999 .

The Sigma MD Program and a Generic Interface Applicable to Multi-Functional Programs with Complex, Hierarchical Command Structure

John A. Board, Jan F. Prins, Jan Hermans, 2002 .

Molecular simulations of beta-sheet twisting.

A. Tropsha, J. Hermans, L. Wang, 1996, Journal of molecular biology.

Macromolecules in solution (2nd ed.), Herbert Morawetz, Wiley-Interscience, new york, 1975, 549 pp.

J. Hermans, 1976 .

Energetic decomposition of the α-helix-coil equilibrium of a dynamic model system

Alexander Tropsha, Lu Wang, Jan Hermans, 1998 .

Inclusion of Loss of Translational and Rotational Freedom in Theoretical Estimates of Free Energies of Binding. Application to a Complex of Benzene and Mutant T4 Lysozyme

Lu Wang, Jan Hermans, J. Hermans, 1997 .

Computational Molecular Dynamics: Challenges, Methods, Ideas: Proceedings of the 2nd International Symposium on Algorithms for Macromolecular Modellin

Benedict Leimkuhler, Robert D. Skeel, Sebastian Reich, 1999 .

Polymer-protein interactions. Comparison of experiment and excluded volume theory.

J. Hermans, D. Knoll, 1983, The Journal of biological chemistry.

The effect of an electric current on the capillary instability of an inviscid cylindrical jet

J. Hermans, 1972 .

Deformation mechanism of cellulose gels. III. Changes in orientation upon drying

J. Hermans, A. Weidinger, D. Vermaas, 1947 .

Deformation mechanism of cellulose gels. II. Course of crystallite orientation compared to that required by Kratky's theory

J. Hermans, A. Weidinger, D. Vermaas, 1946 .

Analysis of copolymers by means of density gradient centrifugation. II. Comparison with kinetic requirements

J. Hermans, H. Ende, 1964 .

Random force correlation function for a charged particle in an electrolyte solution

J. Hermans, T. Chow, 1973 .

Thermodynamic parameters for the helix-coil transition of oligopeptides: molecular dynamics simulation with the peptide growth method.

A. Tropsha, J. Hermans, L. Wang, 1995, Proceedings of the National Academy of Sciences of the United States of America.

Modeling Dynamic Load Balancing in Molecular Dynamics to Achieve Scalable Parallel Execution

Lei Wang, Hye-Chung Kum, Lars S. Nyland, 1998, IRREGULAR.

Achieving Scalable Parallel Molecular Dynamics Using Dynamic Spatial Domain Decomposition Techniques

Lei Wang, Hye-Chung Kum, Lars S. Nyland, 1997, J. Parallel Distributed Comput..

Rationalization of molecular models.

J. Hermans, 1985, Methods in enzymology.

High Polymers in Solution

J. Hermans, 1957 .

Stability of a Cylindrical Viscous Jet Surrounded by a Flowing Gas

J. Hermans, T. Chow, 1971 .

Application of free energy simulations to the binding of a transition-state-analogue inhibitor to HIV protease.

A Tropsha, A. Tropsha, J. Hermans, 1992, Protein engineering.

Hydrogen bonds in molecular mechanics force fields.

Jan Hermans, J. Hermans, 2005, Advances in protein chemistry.

The diffusion of an electrolyte

J. Hermans, 2010 .

SMD: visual steering of molecular dynamics for protein design

Jan F. Prins, Jan Hermans, J. Leech, 1996 .

A Critical Analysis of Methods of Calculation of a Potential in Simulated Polar Liquids: Strong Arguments in Favor of “Molecule-Based” Summation and of Vacuum Boundary Conditions in Ewald Summation

Yury N. Vorobjev, Jan Hermans, J. Hermans, 1999 .

Molecular weight distribution in a non‐terminated polymerization involving living and dormant polymers

J. Hermans, M. Szwarc, 1964 .

Raoult's law as a limiting law

J. Hermans, 2010 .

The thermally induced configurational change of ribonuclease in water and deuterium.

H. Scheraga, J. Hermans, 1959, Biochimica et biophysica acta.

The diffusion potentials in electrolytic mixtures: I. The formula of Henderson

J. Hermans, 2010 .

Thermodynamic properties of mixtures of alkanes differing in chain length. II. Vapour pressures

J. Hermans, J. V. D. Waals, 2010 .

Reversibility of Free Energy Simulations∶ Slow Growth May Have a Unique Advantage. (With a Note on Use of Ewald Summation)

Jan Hermans, R. H. Yun, J. Hermans, 2002 .

Helix formation of poly-L-lysine thiocyanate in aqueous solutions.

J. Hermans, D. Puett, J Hermans, 1967, The Journal of physical chemistry.

The Elastic Constants of Fiber Reinforced Materials

J. Hermans, T. Chow, 1969 .

Rotatory Brownian motion of a rigid dumbbell

J. Hermans, S. Szu, 1974, Journal of Fluid Mechanics.

Hydrodynamic interaction for time‐dependent motions: Steady rotation of a rigid dumbbell

J. Hermans, S. Szu, 1973 .

Distribution of particle size in colloidal silica by ultracentrifugation

J. Hermans, A. M. Rÿke, 1958 .

Solution Properties of Desoxyribonucleic Acid (DNA). II. Light Scattering

J. Hermans, 1959 .

Solution Properties of Desoxyribonucleic Acid(DNA) I. Hydrodynamic Behavior

J. Hermans, 1959 .

Backbone flexibility and stability of reverse turn conformation in a model system.

J. Hermans, J. Scully, 1994, Journal of molecular biology.

Molecular Dynamics Simulation Study of Polypeptide Conformational Equilibria: A Progress Report a

M. Carson, J. Hermans, A. Anderson, 1986 .

Multiple Time Steps: Limits on the Speedup of Molecular Dynamics Simulations of Aqueous Systems

Jan Hermans, J. Hermans, Joshua L. Scully, 1993 .