Zobrazeno 1 - 10
of 54
pro vyhledávání: '"Pedro A. Valiente"'
Autor:
Mario S. Valdés-Tresanco, Mario E. Valdés-Tresanco, Marcela Rubio-Carrasquilla, Pedro A. Valiente, Ernesto Moreno
Publikováno v:
ACS Omega, Vol 6, Iss 44, Pp 29525-29536 (2021)
Externí odkaz:
https://doaj.org/article/063c7acfcb8b4e69ad866ca3c58c6cd1
Publikováno v:
Biology Direct, Vol 15, Iss 1, Pp 1-12 (2020)
Abstract AMDock (Assisted Molecular Docking) is a user-friendly graphical tool to assist in the docking of protein-ligand complexes using Autodock Vina and AutoDock4, including the option of using the Autodock4Zn force field for metalloproteins. AMDo
Externí odkaz:
https://doaj.org/article/654a5f00579b4108a035890672948eb3
Publikováno v:
ACS Central Science, Vol 10, Iss 5, Pp 1001-1011 (2024)
Externí odkaz:
https://doaj.org/article/60c0919bafc34f9c8a66a15b2f043aa4
Publikováno v:
Journal of Tropical Medicine, Vol 2011 (2011)
The development of efficient and selective antimalariais remains a challenge for the pharmaceutical industry. The aspartic proteases plasmepsins, whose inhibition leads to parasite death, are classified as targets for the design of potent drugs. Comb
Externí odkaz:
https://doaj.org/article/275bd33f8fce4c5d9991953a594a8a78
Publikováno v:
The Journal of Physical Chemistry B. 127:944-954
Publikováno v:
The Journal of Physical Chemistry B. 126:1441-1446
The activation of T cells is normally accompanied by inhibitory mechanisms within which the PD1 receptor stands out. PD1 drives T cells to an unresponsive state called exhaustion, characterized by a markedly decreased capacity to exert effector funct
Publikováno v:
Bioinformatics. 39
Motivation Protein and peptide engineering has become an essential field in biomedicine with therapeutics, diagnostics and synthetic biology applications. Helices are both abundant structural feature in proteins and comprise a major portion of bioact
Autor:
Seungtaek Kim, Hyeon Ju Kim, Jinhee Kim, Yagya Prasad Paudel, Satra Nim, Pedro A. Valiente, Kyun-Do Kim, JinAh Lee, Albert Perez-Riba, Philip M. Kim, Han Wen, Insu Hwang
Publikováno v:
Journal of Medicinal Chemistry
Blocking the association between the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein receptor-binding domain (RBD) and the human angiotensin-converting enzyme 2 (ACE2) is an attractive therapeutic approach to prevent the vi
Autor:
Pedro A. Valiente, Marcela Rubio-Carrasquilla, Ernesto Moreno, Mario S. Valdés-Tresanco, Mario E. Valdés-Tresanco
Publikováno v:
ACS Omega, Vol 6, Iss 44, Pp 29525-29536 (2021)
ACS Omega
ACS Omega
Vps34 is the only isoform of the PI3K family in fungi, making this protein an attractive target to develop new treatments against pathogenic fungi. The high structural similarity between the active sites of the human and fungal Vps34 makes repurposin
Publikováno v:
Journal of Chemical Theory and Computation. 17:6281-6291
Molecular mechanics/Poisson-Boltzmann (Generalized-Born) surface area is one of the most popular methods to estimate binding free energies. This method has been proven to balance accuracy and computational efficiency, especially when dealing with lar