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Journal of Computational Chemistry
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October 24, 2002
pKa, MM, and QM studies of mechanisms of beta-lactamases and penicillin-binding proteins: acylation step
Irina Massova, Peter A Kollman
Journal of the American Chemical Society
|
October 17, 2002
Molecular dynamics simulation study of the negative correlation in antibody AZ28-catalyzed oxy-cope rearrangement
Toshio Asada, Hiroaki Gouda, Peter A Kollman
Journal of Computational Chemistry
|
September 18, 2004
Prediction of pKa shifts in proteins using a combination of molecular mechanical and continuum solvent calculations
Bernd Kuhn, Peter A Kollman, Martin Stahl
Journal of Computational Chemistry
|
March 27, 2002
Computational alanine scanning of the 1:1 human growth hormone-receptor complex
Shuanghong Huo, Irina Massova, Peter A Kollman
Journal of Computational Chemistry
|
December 17, 2002
The intramolecular mechanism for the second proton transfer in triosephosphate isomerase (TIM): a QM/FE approach
Giuliano Alagona, Caterina Ghio, Peter A Kollman
Proteins
|
May 10, 2002
Simulating proteins at constant pH: An approach combining molecular dynamics and Monte Carlo simulation
Roland Bürgi, Peter A Kollman, Wilfred F Van Gunsteren
Journal of Medicinal Chemistry
|
December 12, 2003
Investigation of neuraminidase-substrate recognition using molecular dynamics and free energy calculations
Kevin M Masukawa, Peter A Kollman, Irwin D Kuntz
Biopolymers
|
April 30, 2002
Conformational preferences of substituted prolines in the collagen triple helix
Sean D Mooney, Peter A Kollman, Teri E Klein
Journal of Medicinal Chemistry
|
April 2, 2005
Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA
Junmei Wang, Xinshan Kang, Irwin D Kuntz, et al.
Journal of Molecular Graphics & Modelling
|
February 7, 2006
Automatic atom type and bond type perception in molecular mechanical calculations
Junmei Wang, Wei Wang, Peter A Kollman, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
October 24, 2002
pKa, MM, and QM studies of mechanisms of beta-lactamases and penicillin-binding proteins: acylation step
Irina Massova, Peter A Kollman
Journal of the American Chemical Society
|
October 17, 2002
Molecular dynamics simulation study of the negative correlation in antibody AZ28-catalyzed oxy-cope rearrangement
Toshio Asada, Hiroaki Gouda, Peter A Kollman
Journal of Computational Chemistry
|
September 18, 2004
Prediction of pKa shifts in proteins using a combination of molecular mechanical and continuum solvent calculations
Bernd Kuhn, Peter A Kollman, Martin Stahl
Journal of Computational Chemistry
|
March 27, 2002
Computational alanine scanning of the 1:1 human growth hormone-receptor complex
Shuanghong Huo, Irina Massova, Peter A Kollman
Journal of Computational Chemistry
|
December 17, 2002
The intramolecular mechanism for the second proton transfer in triosephosphate isomerase (TIM): a QM/FE approach
Giuliano Alagona, Caterina Ghio, Peter A Kollman
Proteins
|
May 10, 2002
Simulating proteins at constant pH: An approach combining molecular dynamics and Monte Carlo simulation
Roland Bürgi, Peter A Kollman, Wilfred F Van Gunsteren
Journal of Medicinal Chemistry
|
December 12, 2003
Investigation of neuraminidase-substrate recognition using molecular dynamics and free energy calculations
Kevin M Masukawa, Peter A Kollman, Irwin D Kuntz
Biopolymers
|
April 30, 2002
Conformational preferences of substituted prolines in the collagen triple helix
Sean D Mooney, Peter A Kollman, Teri E Klein
Journal of Medicinal Chemistry
|
April 2, 2005
Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA
Junmei Wang, Xinshan Kang, Irwin D Kuntz, et al.
Journal of Molecular Graphics & Modelling
|
February 7, 2006
Automatic atom type and bond type perception in molecular mechanical calculations
Junmei Wang, Wei Wang, Peter A Kollman, et al.
Page
of 3