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Ivan Tubert-Brohman

Showing results (1-10 of 13) with videos related to

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Journal of Chemical Theory and Computation|November 27, 2015
Molecular Mechanics Force Field for Octahedral Organometallic Compounds with Inclusion of the Trans InfluenceIvan Tubert-Brohman, Maurus Schmid, Markus Meuwly
Journal of the American Chemical Society|December 21, 2006
Elucidation of hydrolysis mechanisms for fatty acid amide hydrolase and its Lys142Ala variant via QM/MM simulationsIvan Tubert-Brohman, Orlando Acevedo, William L Jorgensen
Journal of Chemical Information and Modeling|June 27, 2013
Improved docking of polypeptides with GlideIvan Tubert-Brohman, Woody Sherman, Matt Repasky, et al.
The Journal of Biological Chemistry|May 3, 2011
Water-assisted proton transfer in ferredoxin IStephan Lutz, Ivan Tubert-Brohman, Yonggang Yang, et al.
Journal of Chemical Theory and Computation|December 3, 2015
NO-MNDO:  Reintroduction of the Overlap Matrix into MNDOKurt W Sattelmeyer, Ivan Tubert-Brohman, William L Jorgensen
Journal of Chemical Theory and Computation|November 18, 2008
Extension of the PDDG/PM3 Semiempirical Molecular Orbital Method to Sulfur, Silicon, and PhosphorusIvan Tubert-Brohman, Cristiano Ruch Werneck Guimarães, William L Jorgensen
Journal of Computational Chemistry|November 25, 2003
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogensIvan Tubert-Brohman, Cristiano Ruch Werneck Guimarães, Matthew P Repasky, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Effects of Arg90 Neutralization on the Enzyme-Catalyzed Rearrangement of Chorismate to PrephenateCristiano Ruch Werneck Guimarães, Marina Udier-Blagović, Ivan Tubert-Brohman, et al.
Journal of Chemical Information and Modeling|October 24, 2007
Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoringGabriela Barreiro, Cristiano R W Guimarães, Ivan Tubert-Brohman, et al.
Journal of Chemical Theory and Computation|December 3, 2025
Glide WS: Methodology and Initial Assessment of Performance for Docking Accuracy and Virtual ScreeningRichard A Friesner, Robert B Murphy, Yuqi Zhang, et al.
Pageof 2

Showing results (1-10 of 13) with videos related to

Sort By:
Pageof 2
Journal of Chemical Theory and Computation|November 27, 2015
Molecular Mechanics Force Field for Octahedral Organometallic Compounds with Inclusion of the Trans InfluenceIvan Tubert-Brohman, Maurus Schmid, Markus Meuwly
Journal of the American Chemical Society|December 21, 2006
Elucidation of hydrolysis mechanisms for fatty acid amide hydrolase and its Lys142Ala variant via QM/MM simulationsIvan Tubert-Brohman, Orlando Acevedo, William L Jorgensen
Journal of Chemical Information and Modeling|June 27, 2013
Improved docking of polypeptides with GlideIvan Tubert-Brohman, Woody Sherman, Matt Repasky, et al.
The Journal of Biological Chemistry|May 3, 2011
Water-assisted proton transfer in ferredoxin IStephan Lutz, Ivan Tubert-Brohman, Yonggang Yang, et al.
Journal of Chemical Theory and Computation|December 3, 2015
NO-MNDO:  Reintroduction of the Overlap Matrix into MNDOKurt W Sattelmeyer, Ivan Tubert-Brohman, William L Jorgensen
Journal of Chemical Theory and Computation|November 18, 2008
Extension of the PDDG/PM3 Semiempirical Molecular Orbital Method to Sulfur, Silicon, and PhosphorusIvan Tubert-Brohman, Cristiano Ruch Werneck Guimarães, William L Jorgensen
Journal of Computational Chemistry|November 25, 2003
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogensIvan Tubert-Brohman, Cristiano Ruch Werneck Guimarães, Matthew P Repasky, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Effects of Arg90 Neutralization on the Enzyme-Catalyzed Rearrangement of Chorismate to PrephenateCristiano Ruch Werneck Guimarães, Marina Udier-Blagović, Ivan Tubert-Brohman, et al.
Journal of Chemical Information and Modeling|October 24, 2007
Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoringGabriela Barreiro, Cristiano R W Guimarães, Ivan Tubert-Brohman, et al.
Journal of Chemical Theory and Computation|December 3, 2025
Glide WS: Methodology and Initial Assessment of Performance for Docking Accuracy and Virtual ScreeningRichard A Friesner, Robert B Murphy, Yuqi Zhang, et al.
Pageof 2