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June 24, 2004
Free energy surfaces of beta-hairpin and alpha-helical peptides generated by replica exchange molecular dynamics with the AGBNP implicit solvent model
Anthony K Felts, Yuichi Harano, Emilio Gallicchio, et al.
Proteins
|
July 12, 2002
Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the OPLS all-atom force field and the Surface Generalized Born solvent model
Anthony K Felts, Emilio Gallicchio, Anders Wallqvist, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 1, 2005
Protein folding pathways from replica exchange simulations and a kinetic network model
Michael Andrec, Anthony K Felts, Emilio Gallicchio, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Temperature weighted histogram analysis method, replica exchange, and transition paths
Emilio Gallicchio, Michael Andrec, Anthony K Felts, et al.
Journal of Chemical Information and Modeling
|
June 26, 2007
Comparative performance of several flexible docking programs and scoring functions: enrichment studies for a diverse set of pharmaceutically relevant targets
Zhiyong Zhou, Anthony K Felts, Richard A Friesner, et al.
Journal of the American Chemical Society
|
August 2, 2003
On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy
Ronald M Levy, Linda Y Zhang, Emilio Gallicchio, et al.
Journal of Medicinal Chemistry
|
October 16, 2009
Conformational landscape of the human immunodeficiency virus type 1 reverse transcriptase non-nucleoside inhibitor binding pocket: lessons for inhibitor design from a cluster analysis of many crystal structures
Kristina A Paris, Omar Haq, Anthony K Felts, et al.
Journal of Chemical Theory and Computation
|
September 13, 2008
Prediction of Protein Loop Conformations using the AGBNP Implicit Solvent Model and Torsion Angle Sampling
Anthony K Felts, Emilio Gallicchio, Dmitriy Chekmarev, et al.
Journal of Chemical Information and Modeling
|
July 1, 2011
Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studies
Anthony K Felts, Krystal Labarge, Joseph D Bauman, et al.
Journal of Computational Chemistry
|
October 8, 2005
Integrated Modeling Program, Applied Chemical Theory (IMPACT)
Jay L Banks, Hege S Beard, Yixiang Cao, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Proteins
|
June 24, 2004
Free energy surfaces of beta-hairpin and alpha-helical peptides generated by replica exchange molecular dynamics with the AGBNP implicit solvent model
Anthony K Felts, Yuichi Harano, Emilio Gallicchio, et al.
Proteins
|
July 12, 2002
Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the OPLS all-atom force field and the Surface Generalized Born solvent model
Anthony K Felts, Emilio Gallicchio, Anders Wallqvist, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 1, 2005
Protein folding pathways from replica exchange simulations and a kinetic network model
Michael Andrec, Anthony K Felts, Emilio Gallicchio, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Temperature weighted histogram analysis method, replica exchange, and transition paths
Emilio Gallicchio, Michael Andrec, Anthony K Felts, et al.
Journal of Chemical Information and Modeling
|
June 26, 2007
Comparative performance of several flexible docking programs and scoring functions: enrichment studies for a diverse set of pharmaceutically relevant targets
Zhiyong Zhou, Anthony K Felts, Richard A Friesner, et al.
Journal of the American Chemical Society
|
August 2, 2003
On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy
Ronald M Levy, Linda Y Zhang, Emilio Gallicchio, et al.
Journal of Medicinal Chemistry
|
October 16, 2009
Conformational landscape of the human immunodeficiency virus type 1 reverse transcriptase non-nucleoside inhibitor binding pocket: lessons for inhibitor design from a cluster analysis of many crystal structures
Kristina A Paris, Omar Haq, Anthony K Felts, et al.
Journal of Chemical Theory and Computation
|
September 13, 2008
Prediction of Protein Loop Conformations using the AGBNP Implicit Solvent Model and Torsion Angle Sampling
Anthony K Felts, Emilio Gallicchio, Dmitriy Chekmarev, et al.
Journal of Chemical Information and Modeling
|
July 1, 2011
Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studies
Anthony K Felts, Krystal Labarge, Joseph D Bauman, et al.
Journal of Computational Chemistry
|
October 8, 2005
Integrated Modeling Program, Applied Chemical Theory (IMPACT)
Jay L Banks, Hege S Beard, Yixiang Cao, et al.
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of 1