Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Gerardo Andrés Cisneros"'
Autor:
Alice R Walker, Pavel Silvestrov, Tina A Müller, Robert H Podolsky, Gregory Dyson, Robert P Hausinger, Gerardo Andrés Cisneros
Publikováno v:
PLoS Computational Biology, Vol 13, Iss 2, p e1005345 (2017)
The search for prostate cancer biomarkers has received increased attention and several DNA repair related enzymes have been linked to this dysfunction. Here we report a targeted search for single nucleotide polymorphisms (SNPs) and functional impact
Externí odkaz:
https://doaj.org/article/d2c949b3530f40688630c45a904a8f10
Autor:
Irving, Simonin-Wilmer, Raul, Ossio, Emmett M, Leddin, Mark, Harland, Karen A, Pooley, Mauricio Gerardo, Martil de la Garza, Sofia, Obolenski, James, Hewinson, Chi C, Wong, Vivek, Iyer, John C, Taylor, Julia A, Newton-Bishop, D Timothy, Bishop, Gerardo Andrés, Cisneros, Mark M, Iles, David J, Adams, Carla Daniela, Robles-Espinoza
Publikováno v:
Journal of medical genetics.
Pathogenic germline variants in the protection of telomeres 1 gene (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::64c3cf9fc9ad536181698f23c89b8e0c
https://pubmed.ncbi.nlm.nih.gov/36539277
https://pubmed.ncbi.nlm.nih.gov/36539277
Publikováno v:
J Chem Theory Comput
We present a new development in quantum mechanics/molecular mechanics (QM/MM) methods by replacing conventional MM models with data-driven many-body (MB) representations rigorously derived from high-level QM calculations. The new QM/MM approach build
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::77360b6a4f28d43156f114857a8c22bc
https://pubmed.ncbi.nlm.nih.gov/33213149
https://pubmed.ncbi.nlm.nih.gov/33213149
Autor:
Louis Lagardère, Giovanni Scalmani, Filippo Lipparini, Benedetta Mennucci, Jean-Philip Piquemal, Michael J. Frisch, Daniele Loco, Gerardo Andrés Cisneros
Publikováno v:
Chemical Science
Chemical Science, The Royal Society of Chemistry, 2019, ⟨10.1039/C9SC01745C⟩
Chemical Science, The Royal Society of Chemistry, 2019, ⟨10.1039/C9SC01745C⟩
Hybrid DFT(Gaussian)/AMOEBA(Tinker/Tinker-HP) polarizable molecular dynamics including the QM/MM mutual polarization on large complex systems. Example of the thiazole orange dye buried in a DNA double helix, embedded in a sphere of water (16 500 atom
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::299753dfe9f9b88fc5a51123e72d371a
https://pubmed.ncbi.nlm.nih.gov/31588288
https://pubmed.ncbi.nlm.nih.gov/31588288
Autor:
Robert H. Podolsky, Alice R. Walker, Robert P. Hausinger, Tina A. Müller, Pavel Silvestrov, Gerardo Andrés Cisneros, Gregory Dyson
Publikováno v:
PLoS Computational Biology, Vol 13, Iss 2, p e1005345 (2017)
PLoS Computational Biology
PLoS Computational Biology
The search for prostate cancer biomarkers has received increased attention and several DNA repair related enzymes have been linked to this dysfunction. Here we report a targeted search for single nucleotide polymorphisms (SNPs) and functional impact
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d6af009b4f8c88ef1b905e864d2c7a5
https://doaj.org/article/d2c949b3530f40688630c45a904a8f10
https://doaj.org/article/d2c949b3530f40688630c45a904a8f10
Autor:
Valeria Molinero, Gábor Csányi, Francesco Paesani, Lars Ojamäe, Hedieh Torabifard, Kjartan Thor Wikfeldt, Jibao Lu, Gerardo Andrés Cisneros, Albert P. Bartók, Yao Xu
Publikováno v:
Chemical Reviews
Almost 50 years have passed from the first computer simulations of water, and a large number of molecular models have been proposed since then to elucidate the unique behavior of water across different phases. In this article, we review the recent pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af16f87d0ab96d0fbdd4e80bc13342c7
https://www.repository.cam.ac.uk/handle/1810/286991
https://www.repository.cam.ac.uk/handle/1810/286991
Autor:
Ascencio-Gutierrez, Ja, Perez-Marin, L., Otazo-Sanchez, E., Castro, M., Contreras-Pulido, D., Gerardo Andrés Cisneros
Publikováno v:
Web of Science
Scopus-Elsevier
ResearcherID
Scopus-Elsevier
ResearcherID
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::8c46ed3d968ebf73d3521dc1370a4760
https://publons.com/wos-op/publon/5608383/
https://publons.com/wos-op/publon/5608383/