Search Results - "Rodrigues, M. H."

Structure guided prediction of Pyrazinamide resistance mutations in pncA by Karmakar, Malancha, Rodrigues, Carlos H. M., Horan, Kristy, Denholm, Justin T., Ascher, David B.

“…Pyrazinamide plays an important role in tuberculosis treatment; however, its use is complicated by side-effects and challenges with reliable drug…”
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Empirical ways to identify novel Bedaquiline resistance mutations in AtpE by Karmakar, Malancha, Rodrigues, Carlos H M, Holt, Kathryn E, Dunstan, Sarah J, Denholm, Justin, Ascher, David B

“…Clinical resistance against Bedaquiline, the first new anti-tuberculosis compound with a novel mechanism of action in over 40 years, has already been detected…”
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CSM-Toxin: A Web-Server for Predicting Protein Toxicity by Morozov, Vladimir, Rodrigues, Carlos H M, Ascher, David B

“…Biologics are one of the most rapidly expanding classes of therapeutics, but can be associated with a range of toxic properties. In small-molecule drug…”
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A structural biology community assessment of AlphaFold2 applications by Akdel, Mehmet, Pires, Douglas E. V., Pardo, Eduard Porta, Jänes, Jürgen, Zalevsky, Arthur O., Mészáros, Bálint, Bryant, Patrick, Good, Lydia L., Laskowski, Roman A., Pozzati, Gabriele, Shenoy, Aditi, Zhu, Wensi, Kundrotas, Petras, Serra, Victoria Ruiz, Rodrigues, Carlos H. M., Dunham, Alistair S., Burke, David, Borkakoti, Neera, Velankar, Sameer, Frost, Adam, Basquin, Jérôme, Lindorff-Larsen, Kresten, Bateman, Alex, Kajava, Andrey V., Valencia, Alfonso, Ovchinnikov, Sergey, Durairaj, Janani, Ascher, David B., Thornton, Janet M., Davey, Norman E., Stein, Amelie, Elofsson, Arne, Croll, Tristan I., Beltrao, Pedro

“…Most proteins fold into 3D structures that determine how they function and orchestrate the biological processes of the cell. Recent developments in…”
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DynaMut: predicting the impact of mutations on protein conformation, flexibility and stability by Rodrigues, Carlos HM, Pires, Douglas EV, Ascher, David B

“…Abstract Proteins are highly dynamic molecules, whose function is intrinsically linked to their molecular motions. Despite the pivotal role of protein…”
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mmCSM-PPI: predicting the effects of multiple point mutations on protein–protein interactions by Rodrigues, Carlos H M, Pires, Douglas E V, Ascher, David B

“…Abstract Protein–protein interactions play a crucial role in all cellular functions and biological processes and mutations leading to their disruption are…”
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piscesCSM: prediction of anticancer synergistic drug combinations by AlJarf, Raghad, Rodrigues, Carlos H. M., Myung, Yoochan, Pires, Douglas E. V., Ascher, David B.

“…While drug combination therapies are of great importance, particularly in cancer treatment, identifying novel synergistic drug combinations has been a…”
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mCSM-AB2: guiding rational antibody design using graph-based signatures by Myung, Yoochan, Rodrigues, Carlos H M, Ascher, David B, Pires, Douglas E V

“…Abstract Motivation A lack of accurate computational tools to guide rational mutagenesis has made affinity maturation a recurrent challenge in antibody (Ab)…”
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DDMut: predicting effects of mutations on protein stability using deep learning by Zhou, Yunzhuo, Pan, Qisheng, Pires, Douglas E V, Rodrigues, Carlos H M, Ascher, David B

“…Abstract Understanding the effects of mutations on protein stability is crucial for variant interpretation and prioritisation, protein engineering, and…”
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Can Intensified Pasture Systems Reduce Enteric Methane Emissions from Beef Cattle in the Atlantic Forest Biome? by Meo-Filho, Paulo, Berndt, Alexandre, Pezzopane, José R. M., Pedroso, André F., Bernardi, Alberto C. C., Rodrigues, Paulo H. M., Bueno, Ives C. S., Corte, Rosana R., Oliveira, Patrícia P. A.

“…The objective of this study was to evaluate the effect of different pasture systems on beef steers’ performance, dry matter intake, enteric methane emission,…”
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DynaMut2: Assessing changes in stability and flexibility upon single and multiple point missense mutations by Rodrigues, Carlos H.M., Pires, Douglas E.V., Ascher, David B.

“…Predicting the effect of missense variations on protein stability and dynamics is important for understanding their role in diseases, and the link between…”
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DDMut-PPI: predicting effects of mutations on protein-protein interactions using graph-based deep learning by Zhou, Yunzhuo, Myung, YooChan, Rodrigues, Carlos H M, Ascher, David B

“…Protein-protein interactions (PPIs) play a vital role in cellular functions and are essential for therapeutic development and understanding diseases. However,…”
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Dynamics of a class of ODEs more general than almost periodic by Kloeden, P.E., Rodrigues, H.M.

“…A temporally global solution, if it exists, of a nonautonomous ordinary differential equation need not be periodic, almost periodic or almost automorphic when…”
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Exploring the structural distribution of genetic variation in SARS-CoV-2 with the COVID-3D online resource by Portelli, Stephanie, Olshansky, Moshe, Rodrigues, Carlos H. M., D’Souza, Elston N., Myung, Yoochan, Silk, Michael, Alavi, Azadeh, Pires, Douglas E. V., Ascher, David B.

“…The emergence of the COVID-19 pandemic has spurred a global rush to uncover basic biological mechanisms to inform effective vaccine and drug development…”
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pdCSM-PPI: Using Graph-Based Signatures to Identify Protein–Protein Interaction Inhibitors by Rodrigues, Carlos H. M, Pires, Douglas E. V, Ascher, David B

“…Protein–protein interactions are promising sites for development of selective drugs; however, they have generally been viewed as challenging targets. Molecules…”
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Biomarkers of Fluoride in Children Exposed to Different Sources of Systemic Fluoride by Buzalaf, M.A.R., Rodrigues, M.H.C., Pessan, J.P., Leite, A.L., Arana, A., Villena, R.S., Forte, F.D.S., Sampaio, F.C.

“…There has been no comparison between fluoride concentrations in urine and nails of children exposed to different sources of systemic fluoride. The aim of this…”
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Stability and Rupture of an Ultrathin Ionic Wire by Focassio, Bruno, Fiuza, Tanna E. R., Bettini, Jefferson, Schleder, Gabriel R., Rodrigues, Murillo H. M., Souza Junior, João B., Leite, Edson R., Fazzio, Adalberto, Capaz, Rodrigo B.

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New in situ Blends of Polyaniline and Cardanol Bio-Resins by Souza Jr, Fernando G., Richa, Priscila, de Siervo, Abner, Oliveira, Geiza E., Rodrigues, Cezar H. M., Nele, Márcio, Pinto, José Carlos

“…Cardanol, a well known natural resource, was used to produce a polymer resin in the presence of formaldehyde, catalyzed by H2SO4. Before reticulation, PAni ·…”
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Ruminal Fermentation Pattern, Bacterial Community Composition, and Nutrient Digestibility of Nellore Cattle Submitted to Either Nutritional Restriction or Intake of Concentrate Feedstuffs Prior to Adaptation Period by Pinto, Ana C. J., Bertoldi, Gustavo P., Felizari, Luana D., Dias, Evandro F. F., Demartini, Breno L., Nunes, Ana B. C. P., Squizatti, Mariana M., Silvestre, Antonio M., Oliveira, Lucas F. R., Skarlupka, Joseph H., Rodrigues, Paulo H. M., Cruz, Gustavo D., Suen, Garret, Millen, Danilo D.

“…Beef cattle are key contributors to meat production and represent critical drivers of the global agricultural economy. In Brazil, beef cattle are reared in…”
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Author Correction: Exploring the structural distribution of genetic variation in SARS-CoV-2 with the COVID-3D online resource by Portelli, Stephanie, Olshansky, Moshe, Rodrigues, Carlos H. M., D’Souza, Elston N., Myung, Yoochan, Silk, Michael, Alavi, Azadeh, Pires, Douglas E. V., Ascher, David B.

“…A Correction to this paper has been published: https://doi.org/10.1038/s41588-020-00775-x…”
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