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Structure-based charge calculations for predicting isoelectric point, viscosity, clearance, and profiling antibody therapeutics

mAbs, 2021-01, Vol.13 (1), p.1981805

2021

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Leveraging Data Fusion Strategies in Multireceptor Lead Optimization MM/GBSA End-Point Methods

Journal of chemical theory and computation, 2014-08, Vol.10 (8), p.3207-3220

2014

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Biased fragment distribution in MC simulation of protein folding

Journal of computational chemistry, 2004-11, Vol.25 (15), p.1895-1903

2004

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Rotamer-Specific Potentials of Mean Force for Residue Pair Interactions

The journal of physical chemistry. B, 2000-02, Vol.104 (5), p.1097-1107

2000

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Computational study of structures and proton transfer in hydrogen-bonded ammonia complexes using semiempirical valence-bond approach

International journal of quantum chemistry, 1999, Vol.73 (4), p.357-367

1999

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Computational study on small water clusters using a semiempirical valence bond approach

Canadian journal of chemistry, 1999-03, Vol.77 (3), p.367-377

1999

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Thermodynamics, 2nd ed. (Gocken, N. A.; Reddy, R. G.)

Journal of Chemical Education, 1997-08, Vol.74 (8), p.909

Gunn, John R.

1997

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Minimizing Reduced-Model Proteins Using a Generalized Hierarchical Table-Lookup Potential Function

Journal of physical chemistry (1952), 1996-02, Vol.100 (8), p.3264-3272

Gunn, John R

1996

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Sampling protein conformations using segment libraries and a genetic algorithm

The Journal of chemical physics, 1997-03, Vol.106 (10), p.4270-4281

Gunn, John R.

1997

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Computer Modeling of Protein Folding: Conformational and Energetic Analysis of Reduced and Detailed Protein Models

Journal of molecular biology, 1995-04, Vol.247 (5), p.995-1012

1995

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Protein structure prediction using a combination of sequence-based alignment, constrained energy minimization, and structural alignment

Proteins, structure, function, and bioinformatics, 2001, Vol.45 (S5), p.133-139

2001

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Evidence for equilibrating "structure" in unsymmetrical tertiary 2-adamantyl cations. Possible pyramidal distortion of observable solution carbocations

Journal of the American Chemical Society, 1987-12, Vol.109 (25), p.7816-7823

1987

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Hierarchical algorithm for computer modeling of protein tertiary structure: folding of myoglobin to 6.2 .ANG. resolution

Journal of physical chemistry (1952), 1994-01, Vol.98 (2), p.702-711

1994

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Tertiary structure prediction of mixed α/β proteins via energy minimization

Proteins, structure, function, and bioinformatics, 1998-11, Vol.33 (2), p.240-252

1998

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A semi-empirical scheme for generalized valence bond calculations on water complexes

The Journal of chemical physics, 1997-02, Vol.106 (8), p.3248-3257

1997

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Protein Structure Prediction: Methods and Protocols Edited by David M. Webster (Southern Cross Molecular, Bath, UK). Methods in Molecular Biology 143. Humana Press: Totowa, NJ. 2000. x + 422 pp. $89.50. ISBN 0-89603-637-5

Journal of the American Chemical Society, 2001, Vol.123 (8), p.1796-1796

Gunn, John R

2001

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Structure-based charge calculations for predicting isoelectric point, viscosity, clearance, and profiling antibody therapeutics

mAbs, 2021, Vol.13 (1)

2021

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A lattice model description of amphiphilic mixtures. I: Equilibrium properties

The Journal of chemical physics, 1992-02, Vol.96 (4), p.3152-3169

1992

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Parallel implementation of a protein structure refinement algorithm

Journal of computational chemistry, 1996-07, Vol.17 (10), p.1217-1228

1996

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Microscopic model of amphiphilic assembly

The Journal of chemical physics, 1989-11, Vol.91 (10), p.6393-6403

1989

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Evidence for equilibrating structures in unsymmetrical tertiary 2-adamantyl cations: possible pyramidal distortion of observable solution carbocations

Journal of the American Chemical Society, 1987-12, Vol.109 (25), p.7816-7823

1987

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Hierarchical algorithm for computer modeling of protein tertiary structure : folding of myoglobin to 6.2 Å resolution

Journal of physical chemistry (1952), 1994, Vol.98 (2), p.702-711

1994

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Knowledge‐based Prediction of Protein Tertiary Structure

Computational Methods for Protein Folding, 2002, p.193-222

2002

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Dynamical lattice-model simulation

Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 1993-05, Vol.47 (5), p.3069-3080

1993

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Distinct lipid a moieties contribute to pathogen-induced site-specific vascular inflammation

PLoS pathogens, 2014-07, Vol.10 (7), p.e1004215-e1004215

2014

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Structure-based charge calculations for predicting isoelectric point, viscosity, clearance, and profiling antibody therapeutics

Leveraging Data Fusion Strategies in Multireceptor Lead Optimization MM/GBSA End-Point Methods

Biased fragment distribution in MC simulation of protein folding

Rotamer-Specific Potentials of Mean Force for Residue Pair Interactions

Computational study of structures and proton transfer in hydrogen-bonded ammonia complexes using semiempirical valence-bond approach

Computational study on small water clusters using a semiempirical valence bond approach

Thermodynamics, 2nd ed. (Gocken, N. A.; Reddy, R. G.)

Minimizing Reduced-Model Proteins Using a Generalized Hierarchical Table-Lookup Potential Function

Sampling protein conformations using segment libraries and a genetic algorithm

Computer Modeling of Protein Folding: Conformational and Energetic Analysis of Reduced and Detailed Protein Models

Protein structure prediction using a combination of sequence-based alignment, constrained energy minimization, and structural alignment

Evidence for equilibrating "structure" in unsymmetrical tertiary 2-adamantyl cations. Possible pyramidal distortion of observable solution carbocations

Hierarchical algorithm for computer modeling of protein tertiary structure: folding of myoglobin to 6.2 .ANG. resolution

Tertiary structure prediction of mixed α/β proteins via energy minimization

A semi-empirical scheme for generalized valence bond calculations on water complexes

Protein Structure Prediction: Methods and Protocols Edited by David M. Webster (Southern Cross Molecular, Bath, UK). Methods in Molecular Biology 143. Humana Press: Totowa, NJ. 2000. x + 422 pp. $89.50. ISBN 0-89603-637-5

Structure-based charge calculations for predicting isoelectric point, viscosity, clearance, and profiling antibody therapeutics

A lattice model description of amphiphilic mixtures. I: Equilibrium properties

Parallel implementation of a protein structure refinement algorithm

Microscopic model of amphiphilic assembly

Evidence for equilibrating structures in unsymmetrical tertiary 2-adamantyl cations: possible pyramidal distortion of observable solution carbocations

Hierarchical algorithm for computer modeling of protein tertiary structure : folding of myoglobin to 6.2 Å resolution

Knowledge‐based Prediction of Protein Tertiary Structure

Dynamical lattice-model simulation

Distinct lipid a moieties contribute to pathogen-induced site-specific vascular inflammation

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