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Nucleic Acids Research
|
April 27, 2017
LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands
Leela S Dodda, Israel Cabeza de Vaca, Julian Tirado-Rives, et al.
Journal of Molecular Biology
|
February 27, 2007
The structures of antibiotics bound to the E site region of the 50 S ribosomal subunit of Haloarcula marismortui: 13-deoxytedanolide and girodazole
Susan J Schroeder, Gregor Blaha, Julian Tirado-Rives, et al.
Journal of Chemical Theory and Computation
|
February 27, 2019
Development and Testing of the OPLS-AA/M Force Field for RNA
Michael J Robertson, Yue Qian, Matthew C Robinson, et al.
Journal of the American Chemical Society
|
May 29, 2003
Investigation of solvent effects for the Claisen rearrangement of chorismate to prephenate: mechanistic interpretation via near attack conformations
Matthew P Repasky, Cristiano Ruch Werneck Guimarães, Jayaraman Chandrasekhar, et al.
Journal of Chemical Information and Modeling
|
May 9, 2020
Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2
Kara J Cutrona, Ana S Newton, Stefan G Krimmer, et al.
Journal of the American Chemical Society
|
June 5, 2003
Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutase
Cristiano Ruch Werneck Guimarães, Matthew P Repasky, Jayaraman Chandrasekhar, et al.
Journal of Chemical Theory and Computation
|
April 9, 2016
Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning
Daniel J Cole, Jonah Z Vilseck, Julian Tirado-Rives, et al.
Journal of Chemical Theory and Computation
|
May 1, 2018
Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding
Israel Cabeza de Vaca, Yue Qian, Jonah Z Vilseck, et al.
Journal of the American Chemical Society
|
January 6, 2005
Relationship between side chain structure and 14-helix stability of beta3-peptides in water
Joshua A Kritzer, Julian Tirado-Rives, Scott A Hart, et al.
Bioorganic & Medicinal Chemistry Letters
|
January 10, 2013
Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency
Mariela Bollini, Ricardo Gallardo-Macias, Krasimir A Spasov, et al.
Page
of 7
Search research articles
Search
Showing results (41-50 of 70) with videos related to
Sort By:
Page
of 7
Nucleic Acids Research
|
April 27, 2017
LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands
Leela S Dodda, Israel Cabeza de Vaca, Julian Tirado-Rives, et al.
Journal of Molecular Biology
|
February 27, 2007
The structures of antibiotics bound to the E site region of the 50 S ribosomal subunit of Haloarcula marismortui: 13-deoxytedanolide and girodazole
Susan J Schroeder, Gregor Blaha, Julian Tirado-Rives, et al.
Journal of Chemical Theory and Computation
|
February 27, 2019
Development and Testing of the OPLS-AA/M Force Field for RNA
Michael J Robertson, Yue Qian, Matthew C Robinson, et al.
Journal of the American Chemical Society
|
May 29, 2003
Investigation of solvent effects for the Claisen rearrangement of chorismate to prephenate: mechanistic interpretation via near attack conformations
Matthew P Repasky, Cristiano Ruch Werneck Guimarães, Jayaraman Chandrasekhar, et al.
Journal of Chemical Information and Modeling
|
May 9, 2020
Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2
Kara J Cutrona, Ana S Newton, Stefan G Krimmer, et al.
Journal of the American Chemical Society
|
June 5, 2003
Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutase
Cristiano Ruch Werneck Guimarães, Matthew P Repasky, Jayaraman Chandrasekhar, et al.
Journal of Chemical Theory and Computation
|
April 9, 2016
Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning
Daniel J Cole, Jonah Z Vilseck, Julian Tirado-Rives, et al.
Journal of Chemical Theory and Computation
|
May 1, 2018
Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding
Israel Cabeza de Vaca, Yue Qian, Jonah Z Vilseck, et al.
Journal of the American Chemical Society
|
January 6, 2005
Relationship between side chain structure and 14-helix stability of beta3-peptides in water
Joshua A Kritzer, Julian Tirado-Rives, Scott A Hart, et al.
Bioorganic & Medicinal Chemistry Letters
|
January 10, 2013
Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency
Mariela Bollini, Ricardo Gallardo-Macias, Krasimir A Spasov, et al.
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of 7