Search Results - "Valdes, Mario"
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Contemporary Systemic Therapy Intensification for Prostate Cancer: A Review for General Practitioners in Oncology
Published in Current oncology (Toronto) (01-02-2024)“…Prostate cancer accounts for a significant proportion of cancer diagnoses in Canadian men. Over the past decade, the therapeutic landscape for the management…”
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gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS
Published in Journal of chemical theory and computation (12-10-2021)“…Molecular mechanics/Poisson–Boltzmann (Generalized-Born) surface area is one of the most popular methods to estimate binding free energies. This method has…”
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Contemporary Management of Renal Cell Carcinoma: A Review for General Practitioners in Oncology
Published in Current oncology (Toronto) (01-08-2024)“…Renal cell carcinoma accounts for a significant proportion of cancer diagnoses in Canadians. Over the past several years, the management of renal cell cancers…”
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Biomarker Turnaround Times and Impact on Treatment Decisions in Patients with Advanced Non-Small Cell Lung Carcinoma at a Large Canadian Community Hospital with an Affiliated Regional Cancer Centre
Published in Current oncology (Toronto) (01-03-2024)“…: Timely reporting of molecular biomarkers is critical in guiding optimal treatment decisions in patients with advanced non-small cell lung carcinoma (NSCLC)…”
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Discovery of potent and selective inhibitors of the Escherichia coli M1-aminopeptidase via multicomponent solid-phase synthesis of tetrazole-peptidomimetics
Published in European journal of medicinal chemistry (01-02-2019)“…The Escherichia coli neutral M1-aminopeptidase (ePepN) is a novel target identified for the development of antimicrobials. Here we describe a solid-phase…”
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Decoupling immunomodulatory properties from lipid binding in the α-pore-forming toxin Sticholysin II
Published in International journal of biological macromolecules (01-11-2024)“…Sticholysin II (StII), a pore-forming toxin from the marine anemone Stichodactyla helianthus, enhances an antigen-specific cytotoxic T lymphocyte (CTL)…”
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Discovery of tight-binding competitive inhibitors of dipeptidyl peptidase IV
Published in International journal of biological macromolecules (31-01-2022)“…Dipeptidyl peptidase IV (DPP-IV, EC 3.4.14.5) is an abundant serine aminopeptidase that preferentially cleaves N-terminal Xaa-Pro or Xaa-Ala dipeptides from…”
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Growth differentiation factor 15 (GDF15) predicts relapse free and overall survival in unresected locally advanced non-small cell lung cancer treated with chemoradiotherapy
Published in Radiation oncology (London, England) (07-11-2024)“…Introduction Growth differentiation factor 15 (GDF15) is a cytokine of the TGF[beta] family. Here, we analyzed GDF15 levels in patients with locally advanced…”
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Efficacy of Rhipicephalus (Boophilus) microplus Bm86 against Hyalomma dromedarii and Amblyomma cajennense tick infestations in camels and cattle
Published in Vaccine (14-05-2012)“…Highlights ► Vaccination trials with Bm86 based vaccine were conducted in cattle and camels. ► Bm86 protected against H. dromedarii in cattle and camels but to…”
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AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4
Published in Biology direct (16-09-2020)“…AMDock (Assisted Molecular Docking) is a user-friendly graphical tool to assist in the docking of protein-ligand complexes using Autodock Vina and AutoDock4,…”
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Hexahydropyrrolo[2,3‑b]indole Compounds as Potential Therapeutics for Alzheimer’s Disease
Published in ACS chemical neuroscience (16-10-2019)“…Alzheimer’s disease (AD) is the most common form of dementia among the elderly and has become a leading public health concern worldwide. It represents a huge…”
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Systemic Therapy Outcomes in Adult Patients with Ewing Sarcoma Family of Tumors
Published in Case reports in oncology (23-05-2017)“…Background: The Ewing sarcoma family of tumors (ESFT) is a rare but curable bone neoplastic entity. The current standard of care involves chemotherapy and…”
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Assessment of Different Parameters on the Accuracy of Computational Alanine Scanning of Protein–Protein Complexes with the Molecular Mechanics/Generalized Born Surface Area Method
Published in The journal of physical chemistry. B (02-02-2023)“…Computational alanine scanning with the molecular mechanics generalized Born surface area (MM/GBSA) method constitutes a widely used approach for identifying…”
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Eastern Canadian Gastrointestinal Cancer Consensus Conference 2019
Published in Current oncology (Toronto) (26-05-2021)“…The annual Eastern Canadian Gastrointestinal Cancer Consensus Conference 2019 was held in Morell, Prince Edward Island, 19–21 September 2019. Experts in…”
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Structural Modeling of Nanobodies: A Benchmark of State-of-the-Art Artificial Intelligence Programs
Published in Molecules (Basel, Switzerland) (09-05-2023)“…The number of applications for nanobodies is steadily expanding, positioning these molecules as fast-growing biologic products in the biotechnology market…”
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Structural Insights into the Design of Synthetic Nanobody Libraries
Published in Molecules (Basel, Switzerland) (28-03-2022)“…Single domain antibodies from camelids, or nanobodies, are a unique class of antibody fragments with several advantageous characteristics: small monomeric…”
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Tailored Parameterization of the LIE Method for Calculating the Binding Free Energy of Vps34–Inhibitor Complexes
Published in ACS omega (09-11-2021)“…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…”
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NbThermo: a new thermostability database for nanobodies
Published in Database : the journal of biological databases and curation (12-04-2023)“…Abstract We present NbThermo—a first-in-class database that collects melting temperatures (Tm), amino acid sequences and several other categories of useful…”
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Protein surface roughness accounts for binding free energy of Plasmepsin II‐ligand complexes
Published in Journal of molecular recognition (01-01-2018)“…The calculation of absolute binding affinities for protein‐inhibitor complexes remains as one of the main challenges in computational structure‐based ligand…”
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A program to automate the discovery of drugs for West Nile and Dengue virus-programmatic screening of over a billion compounds on PubChem, generation of drug leads and automated in silico modelling
Published in Journal of biomolecular structure & dynamics (21-06-2022)“…Our work is composed of a python program for programmatic data mining of PubChem to collect data to implement a machine learning-based AutoQSAR algorithm to…”
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