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CHARMM: The biomolecular simulation program

Journal of computational chemistry, 2009-07, Vol.30 (10), p.1545-1614

2009

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First-Principles Calculation of the Folding Free Energy of a Three-Helix Bundle Protein

Science (American Association for the Advancement of Science), 1995-07, Vol.269 (5222), p.393-396

1995

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Conformational Sampling of Maltose-Transporter Components in Cartesian Collective Variables Is Governed by the Low-Frequency Normal Modes

The journal of physical chemistry letters, 2012-11, Vol.3 (22), p.3379-3384

2012

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From folding theories to folding proteins: a review and assessment of simulation studies of protein folding and unfolding

Annual review of physical chemistry, 2001-01, Vol.52, p.499-535

2001

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Exploring the Origins of Topological Frustration: Design of a Minimally Frustrated Model of Fragment B of Protein A

Proceedings of the National Academy of Sciences - PNAS, 1999-10, Vol.96 (22), p.12512-12517

1999

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Ligand−Protein DataBase: Linking Protein−Ligand Complex Structures to Binding Data

Journal of medicinal chemistry, 2001-10, Vol.44 (22), p.3592-3598

2001

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Statistical thermodynamics. Taking a walk on a landscape

Science (American Association for the Advancement of Science), 2001-07, Vol.293 (5530), p.612-613

2001

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Virus Particle Explorer (VIPER), a website for virus capsid structures and their computational analyses

Journal of virology, 2001-12, Vol.75 (24), p.11943-11947

2001

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Simulations of protein folding and unfolding

Current opinion in structural biology, 1998-04, Vol.8 (2), p.222-226

Brooks, Charles L

1998

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Calculations on folding of segment B1 of streptococcal protein G

Journal of molecular biology, 1998-05, Vol.278 (2), p.439-456

1998

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Active Site Dynamics of Ribonuclease

Proceedings of the National Academy of Sciences - PNAS, 1985-12, Vol.82 (24), p.8458-8462

1985

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Exploring the Folding Free Energy Surface of a Three-Helix Bundle Protein

Proceedings of the National Academy of Sciences - PNAS, 1997-09, Vol.94 (19), p.10161-10166

1997

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Chemical Physics of Protein Folding

Proceedings of the National Academy of Sciences - PNAS, 1998-09, Vol.95 (19), p.11037-11038

1998

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Molecular Picture of Folding of a Small α /β Protein

Proceedings of the National Academy of Sciences - PNAS, 1998-02, Vol.95 (4), p.1562-1567

1998

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Accurate reconstruction of all-atom protein representations from side-chain-based low-resolution models

Proteins, structure, function, and bioinformatics, 2000-10, Vol.41 (1), p.86-97

2000

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Thermodynamics of protein folding: a statistical mechanical study of a small all-beta protein

Biopolymers, 1997-12, Vol.42 (7), p.745-757

1997

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Solvent effects on protein motion and protein effects on solvent motion: Dynamics of the active site region of lysozyme

Journal of molecular biology, 1989-07, Vol.208 (1), p.159-181

1989

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Energetics of Quasiequivalence: Computational Analysis of Protein-Protein Interactions in Icosahedral Viruses

Biophysical journal, 1998, Vol.74 (1), p.546-558

1998

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A Microscopic View of Helix Propagation: N and C-terminal Helix Growth in Alanine Helices

Journal of molecular biology, 1996-06, Vol.259 (3), p.560-572

1996

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Do active site conformations of small ligands correspond to low free-energy solution structures?

Journal of computer-aided molecular design, 1998-11, Vol.12 (6), p.563-572

1998

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Statistical clustering techniques for the analysis of long molecular dynamics trajectories: analysis of 2.2-ns trajectories of YPGDV

Biochemistry (Easton), 1993-01, Vol.32 (2), p.412-420

1993

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Modeling of the metallo‐β‐lactamase from B. fragilis: Structural and dynamic effects of inhibitor binding

Proteins, structure, function, and bioinformatics, 2001-09, Vol.44 (4), p.448-459

2001

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Prediction of the Folding Pathways and Structure of the GCN4 Leucine Zipper

Journal of molecular biology, 1994-04, Vol.237 (4), p.361-367

1994

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Curious structure in "canonical" alanine-based peptides

Proteins, structure, function, and bioinformatics, 1997-05, Vol.28 (1), p.59-71

1997

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Thermodynamics and mechanism of .alpha. helix initiation in alanine and valine peptides

Biochemistry (Easton), 1991-06, Vol.30 (24), p.6059-6070

1991

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CHARMM: The biomolecular simulation program

First-Principles Calculation of the Folding Free Energy of a Three-Helix Bundle Protein

Conformational Sampling of Maltose-Transporter Components in Cartesian Collective Variables Is Governed by the Low-Frequency Normal Modes

From folding theories to folding proteins: a review and assessment of simulation studies of protein folding and unfolding

Exploring the Origins of Topological Frustration: Design of a Minimally Frustrated Model of Fragment B of Protein A

Ligand−Protein DataBase: Linking Protein−Ligand Complex Structures to Binding Data

Statistical thermodynamics. Taking a walk on a landscape

Virus Particle Explorer (VIPER), a website for virus capsid structures and their computational analyses

Simulations of protein folding and unfolding

Calculations on folding of segment B1 of streptococcal protein G

Active Site Dynamics of Ribonuclease

Exploring the Folding Free Energy Surface of a Three-Helix Bundle Protein

Chemical Physics of Protein Folding

Molecular Picture of Folding of a Small α /β Protein

Accurate reconstruction of all-atom protein representations from side-chain-based low-resolution models

Thermodynamics of protein folding: a statistical mechanical study of a small all-beta protein

Solvent effects on protein motion and protein effects on solvent motion: Dynamics of the active site region of lysozyme

Energetics of Quasiequivalence: Computational Analysis of Protein-Protein Interactions in Icosahedral Viruses

A Microscopic View of Helix Propagation: N and C-terminal Helix Growth in Alanine Helices

Do active site conformations of small ligands correspond to low free-energy solution structures?

Statistical clustering techniques for the analysis of long molecular dynamics trajectories: analysis of 2.2-ns trajectories of YPGDV

Modeling of the metallo‐β‐lactamase from B. fragilis: Structural and dynamic effects of inhibitor binding

Prediction of the Folding Pathways and Structure of the GCN4 Leucine Zipper

Curious structure in "canonical" alanine-based peptides

Thermodynamics and mechanism of .alpha. helix initiation in alanine and valine peptides

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