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ACS Chemical Biology
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February 18, 2014
A structural and energetic model for the slow-onset inhibition of the Mycobacterium tuberculosis enoyl-ACP reductase InhA
Huei-Jiun Li, Cheng-Tsung Lai, Pan Pan, et al.
Journal of Chemical Theory and Computation
|
August 16, 2024
phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino Acids
Lauren E Raguette, Abbigayle E Cuomo, Kellon A A Belfon, et al.
Biochemistry
|
July 7, 2015
Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA
Cheng-Tsung Lai, Huei-Jiun Li, Weixuan Yu, et al.
The Journal of Physical Chemistry. B
|
August 7, 2024
Adjusting the Energy Profile for CH-O Interactions Leads to Improved Stability of RNA Stem-Loop Structures in MD Simulations
Lauren E Raguette, Sarah S Gunasekera, Rebeca I Diaz Ventura, et al.
Journal of Molecular Biology
|
February 15, 2025
InSty: A ProDy Module for Evaluating Protein Interactions and Stability
Karolina Mikulska-Ruminska, James M Krieger, Anupam Banerjee, et al.
Journal of Chemical Theory and Computation
|
May 24, 2021
Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies
Junjie Zou, Zhipeng Li, Shuai Liu, et al.
Journal of Computational Chemistry
|
October 4, 2005
The Amber biomolecular simulation programs
David A Case, Thomas E Cheatham, Tom Darden, et al.
Journal of Chemical Theory and Computation
|
November 13, 2019
ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution
Chuan Tian, Koushik Kasavajhala, Kellon A A Belfon, et al.
Biorxiv : the Preprint Server for Biology
|
December 11, 2023
MHC-Fine: Fine-tuned AlphaFold for Precise MHC-Peptide Complex Prediction
Ernest Glukhov, Dmytro Kalitin, Darya Stepanenko, et al.
Nucleic Acids Research
|
December 19, 2014
Active destabilization of base pairs by a DNA glycosylase wedge initiates damage recognition
Nikita A Kuznetsov, Christina Bergonzo, Arthur J Campbell, et al.
Page
of 11
Search research articles
Search
Showing results (81-90 of 107) with videos related to
Sort By:
Page
of 11
ACS Chemical Biology
|
February 18, 2014
A structural and energetic model for the slow-onset inhibition of the Mycobacterium tuberculosis enoyl-ACP reductase InhA
Huei-Jiun Li, Cheng-Tsung Lai, Pan Pan, et al.
Journal of Chemical Theory and Computation
|
August 16, 2024
phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino Acids
Lauren E Raguette, Abbigayle E Cuomo, Kellon A A Belfon, et al.
Biochemistry
|
July 7, 2015
Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA
Cheng-Tsung Lai, Huei-Jiun Li, Weixuan Yu, et al.
The Journal of Physical Chemistry. B
|
August 7, 2024
Adjusting the Energy Profile for CH-O Interactions Leads to Improved Stability of RNA Stem-Loop Structures in MD Simulations
Lauren E Raguette, Sarah S Gunasekera, Rebeca I Diaz Ventura, et al.
Journal of Molecular Biology
|
February 15, 2025
InSty: A ProDy Module for Evaluating Protein Interactions and Stability
Karolina Mikulska-Ruminska, James M Krieger, Anupam Banerjee, et al.
Journal of Chemical Theory and Computation
|
May 24, 2021
Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies
Junjie Zou, Zhipeng Li, Shuai Liu, et al.
Journal of Computational Chemistry
|
October 4, 2005
The Amber biomolecular simulation programs
David A Case, Thomas E Cheatham, Tom Darden, et al.
Journal of Chemical Theory and Computation
|
November 13, 2019
ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution
Chuan Tian, Koushik Kasavajhala, Kellon A A Belfon, et al.
Biorxiv : the Preprint Server for Biology
|
December 11, 2023
MHC-Fine: Fine-tuned AlphaFold for Precise MHC-Peptide Complex Prediction
Ernest Glukhov, Dmytro Kalitin, Darya Stepanenko, et al.
Nucleic Acids Research
|
December 19, 2014
Active destabilization of base pairs by a DNA glycosylase wedge initiates damage recognition
Nikita A Kuznetsov, Christina Bergonzo, Arthur J Campbell, et al.
Page
of 11