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Proteins
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August 31, 2020
Exploring the conformational dynamics of PD1 in complex with different ligands: What we can learn for designing novel PD1 signaling blockers?
Luis F Ponce, Karina García-Martínez, Kalet León, et al.
The Journal of Physical Chemistry. B
|
July 23, 2016
Improved QM/MM Linear-Interaction Energy Model for Substrate Recognition in Zinc-Containing Metalloenzymes
Williams E Miranda, Van A Ngo, Pedro A Valiente, et al.
Journal of Structural Biology
|
June 23, 2016
Structures of a bi-functional Kunitz-type STI family inhibitor of serine and aspartic proteases: Could the aspartic protease inhibition have evolved from a canonical serine protease-binding loop?
Yasel Guerra, Pedro A Valiente, Tirso Pons, et al.
Journal of Chemical Information and Modeling
|
July 25, 2022
Targeting the Receptor-Binding Motif of SARS-CoV-2 with D-Peptides Mimicking the ACE2 Binding Helix: Lessons for Inhibiting Omicron and Future Variants of Concern
Pedro A Valiente, Satra Nim, JinAh Lee, et al.
The Journal of Physical Chemistry. B
|
June 21, 2023
Predicting a Stable Dimeric Form of the PD1-PDL1 Complex: Implications for Understanding the PD1 Activation Mechanism
Luis F Ponce, Daniel P Ramírez-Echemendia, Kalet León, et al.
Proteins
|
May 26, 2017
Predicting binding modes of reversible peptide-based inhibitors of falcipain-2 consistent with structure-activity relationships
Jorge Enrique Hernández González, Lilian Hernández Alvarez, Pedro Geraldo Pascutti, et al.
The Journal of Physical Chemistry. B
|
January 20, 2023
Assessment of Different Parameters on the Accuracy of Computational Alanine Scanning of Protein-Protein Complexes with the Molecular Mechanics/Generalized Born Surface Area Method
Mario E Valdés-Tresanco, Mario S Valdés-Tresanco, Ernesto Moreno, et al.
Journal of Chemical Information and Modeling
|
August 27, 2024
Antibody-SGM, a Score-Based Generative Model for Antibody Heavy-Chain Design
Xuezhi Xie, Pedro A Valiente, Jin Sub Lee, et al.
Journal of Chemical Theory and Computation
|
September 29, 2021
gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS
Mario S Valdés-Tresanco, Mario E Valdés-Tresanco, Pedro A Valiente, et al.
Biology Direct
|
September 17, 2020
AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4
Mario S Valdés-Tresanco, Mario E Valdés-Tresanco, Pedro A Valiente, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 47) with videos related to
Sort By:
Page
of 5
Proteins
|
August 31, 2020
Exploring the conformational dynamics of PD1 in complex with different ligands: What we can learn for designing novel PD1 signaling blockers?
Luis F Ponce, Karina García-Martínez, Kalet León, et al.
The Journal of Physical Chemistry. B
|
July 23, 2016
Improved QM/MM Linear-Interaction Energy Model for Substrate Recognition in Zinc-Containing Metalloenzymes
Williams E Miranda, Van A Ngo, Pedro A Valiente, et al.
Journal of Structural Biology
|
June 23, 2016
Structures of a bi-functional Kunitz-type STI family inhibitor of serine and aspartic proteases: Could the aspartic protease inhibition have evolved from a canonical serine protease-binding loop?
Yasel Guerra, Pedro A Valiente, Tirso Pons, et al.
Journal of Chemical Information and Modeling
|
July 25, 2022
Targeting the Receptor-Binding Motif of SARS-CoV-2 with D-Peptides Mimicking the ACE2 Binding Helix: Lessons for Inhibiting Omicron and Future Variants of Concern
Pedro A Valiente, Satra Nim, JinAh Lee, et al.
The Journal of Physical Chemistry. B
|
June 21, 2023
Predicting a Stable Dimeric Form of the PD1-PDL1 Complex: Implications for Understanding the PD1 Activation Mechanism
Luis F Ponce, Daniel P Ramírez-Echemendia, Kalet León, et al.
Proteins
|
May 26, 2017
Predicting binding modes of reversible peptide-based inhibitors of falcipain-2 consistent with structure-activity relationships
Jorge Enrique Hernández González, Lilian Hernández Alvarez, Pedro Geraldo Pascutti, et al.
The Journal of Physical Chemistry. B
|
January 20, 2023
Assessment of Different Parameters on the Accuracy of Computational Alanine Scanning of Protein-Protein Complexes with the Molecular Mechanics/Generalized Born Surface Area Method
Mario E Valdés-Tresanco, Mario S Valdés-Tresanco, Ernesto Moreno, et al.
Journal of Chemical Information and Modeling
|
August 27, 2024
Antibody-SGM, a Score-Based Generative Model for Antibody Heavy-Chain Design
Xuezhi Xie, Pedro A Valiente, Jin Sub Lee, et al.
Journal of Chemical Theory and Computation
|
September 29, 2021
gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS
Mario S Valdés-Tresanco, Mario E Valdés-Tresanco, Pedro A Valiente, et al.
Biology Direct
|
September 17, 2020
AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4
Mario S Valdés-Tresanco, Mario E Valdés-Tresanco, Pedro A Valiente, et al.
Page
of 5