J McCammon
Appearances
DateApril 7, 2021In _E. coli_, the acyltransferase (AT), FabD, initiates fatty acid biosynthesis by charging the acyl carrier protein (ACP), AcpP, with malonyl-CoA. In order to catalyze this chemical transformation, FabD, must form a complex with AcpP…Presenter
Postdoctoral Researcher, University of California, San DiegoSpeakers
Professor, Chemistry and Biochemistry, University of California San Diego
DateApril 13, 2021Influenza neuraminidase is an important drug target. Glycans are present on neuraminidase, and are generally considered to inhibit antibody binding via their glycan shield. In this work we studied the effect of glycans on the binding kinetics of antiviral drugs to the influenza neuraminidase…Presenter
PhD student, Elon UniversitySpeakers
Postdoctoral Research Scholar, University of California, San DiegoUniversity of California, San Diego
DateAugust 23, 2021SARS-CoV-2 is the causative virus of the global pandemic disease COVID-19, causing a significant public health burden. With the continued spread of SARS-CoV-2 comes an urgent need for drugs to treat those infected. The main protease (Mpro, also known as 3CL) of SARS-CoV-2 is a validated drug target…Presenter
PhD student, Elon UniversitySpeakers
Takeda PharmaceuticalsUniversity of MinnesotaUniversity of California, San Diego- DateAugust 25, 2021SARS-CoV-2 is the causative virus of the global pandemic disease COVID-19, causing a significant public health burden. With the continued spread of SARS-CoV-2 comes an urgent need for drugs to treat those infected. The main protease (Mpro, also known as 3CL) of SARS-CoV-2 is a validated drug target…
Presenter
PhD student, Elon UniversitySpeakers
Takeda PharmaceuticalsUniversity of MinnesotaUniversity of California, San Diego - DateAugust 23, 2021Gaussian accelerated molecular dynamics (GaMD) is a well-established enhanced sampling method for molecular dynamics (MD) simulations that effectively samples the potential energy landscape of the system by adding a boost potential, which smoothens the surface and lowers energy barriers between sta…
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Speakers
- DateAugust 23, 2021To rationalize the specificity of biomolecular recognition in type II non-ribosomal peptide synthesis, we analyzed interactions between two (homologous) prolyl-carrier proteins, PigG and PltL, and their cognate adenylases, PigI and PltF, respectively, using a combination nuclear magnetic resonance…
Presenter
Postdoctoral Researcher, University of California, San DiegoSpeakers
Professor, Chemistry and Biochemistry, University of California San Diego - DateMarch 20, 2022Diffusion is involved in a vast array of biomolecular processes…
Speaker
Presenter
- DateMarch 23, 2022SARS-CoV-2 is the causative virus of the global pandemic disease COVID-19, causing a significant public health burden. With the continued spread of SARS-CoV-2 comes an urgent need for drugs to treat those infected. The main protease (Mpro, also known as 3CL) of SARS-CoV-2 is a validated drug target…
Presenter
PhD student, Elon UniversitySpeakers
Takeda PharmaceuticalsUniversity of MinnesotaUniversity of California, San Diego - DateMarch 23, 2022SARS-CoV-2 infection is mediated by glycosylated spike trimers, which protrude the surface of viral particles and bind to human ACE2 receptors. For a spike to bind ACE2, the receptor binding domain (RBD) must transition from a glycan-shielded ‘down’ to an exposed ‘up’ state…
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Speakers
Postdoctoral Research Scholar, University of California, San DiegoUniversity of California San DiegoUniversity of PittsburghUniversity of California, San Diego - DateMarch 22, 2022Due to recent advances in computational power and algorithms, molecular dynamics (MD) simulations have reached greater timescales. However, for observing conformational transitions associated with biomolecular processes, MD simulations still have limitations…
Presenter
Graduate Student Researcher, University of California San DiegoSpeakers
- DateAugust 15, 2023Electrostatic interactions are of fundamental importance for the structures and functions of biomolecules. Their accurate modeling is crucial in the design and development of physical models in computational studies of biomolecules…
Presenter
University of California IrvineSpeakers
- DateMarch 26, 2025Group VIA calcium-independent phospholipase A2 (GVIA iPLA2) is a distinctive member of the PLA2 superfamily, characterized by its calcium-independent activity, in contrast to secreted (sPLA2) and cytosolic (cPLA2) phospholipases that require calcium for activation…
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