Gerardo Andrés Cisneros
Wayne State University
Appearances
DateApril 6, 2021The atomic-level understanding of structural and mechanistic details of specific enzymatic targets can aid in the refinement and/or development of drug therapies…Speakers
University of North Texas College of SciencePresenter
Wayne State University
DateApril 15, 2021We have developed a comprehensive approach to find and characterize the impact of cancer mutants on any protein, and have applied it to DNA modification enzymes. This approach is an extension of conventional genome wide–association studies (GWAS)…Speaker
Presenter
Wayne State University
DateApril 14, 2021DNA methylation is an important epigenetic feature that most commonly results in 5-methylcytosine (5mC). The TET2 enzyme mediates the stepwise oxidation of 5mC to 5-carboxylcytosine (5caC) using Fe(II) and α-ketoglutarate as co-substrates…Presenter
DateApril 14, 2021DNA replication is fast and highly efficient due to the polymerases that carry out this process. DNA Polymerase III (Pol III) is the main replicative polymerase of _E. coli_ composed of over 10 proteins…Presenter
Speaker
Wayne State University
DateAugust 25, 2021The atomic-level understanding of structural and mechanistic details of specific enzymatic targets can aid in the refinement and/or development of drug therapies. Two important targets in SARS-CoV-2 are the Main Protease (MPro) and the RNA directed RNA polymerase (RdRp)…Speakers
University of North Texas College of SciencePresenter
Wayne State University- DateAugust 22, 2021We will discuss the development of AMOEBA parameters for ionic liquids and water with the use of distributed multipoles derived from the Gaussian Electrostatic Model (GEM), as well as our own molecular density-based GEM model for water including an improved dispersion term, and their implementation…
Presenter
Wayne State University - DateAugust 23, 2021Division/Committee: [PHYS] Division of Physical Chemistry
Organizers
Univ of PittsburghQueen Mary University of LondonPurdue UniversityPresider
Wayne State University - DateAugust 25, 2021Division/Committee: [PHYS] Division of Physical Chemistry
Organizers
Chinese Academy of SciencesUniversity of Texas at ArlingtonPresider
Wayne State University - DateAugust 26, 2021Determination of the impact of point mutations in enzymes can provide insights on their structure, function and dynamical features…
Speakers
Associate Professor, The University of Texas at DallasPresenter
Wayne State University - DateMarch 22, 2022Xanthine oxidase (XO) is a molybdopterin-containing enzyme that performs the interconversion of xanthine to uric acid within the last step of the purine catabolism in the human body. High blood concentrations of uric acid can lead to gout and hyperuricemia…
Presenter
University of North Texas College of ScienceSpeakers
Wayne State University 
DateMarch 22, 2022DNA Polymerase κ (polκ) is a Y-family polymerase that performs translesion synthesis. While it is recruited during DNA replication to continue past sites of unrepaired damage, the enzyme is understood to have low-fidelity when complexed with undamaged DNA…Presenter
Speaker
Wayne State University- DateMarch 22, 2022We have developed a comprehensive approach to find and characterize the impact of cancer mutants on target proteins, and have applied it to DNA modification enzymes. This approach is an extension of conventional genome wide-association studies (GWAS)…
Speaker
Presenter
Wayne State University - DateMarch 20, 2022Quantum Mechanics/Molecular Mechanics (QM/MM) simulations are a popular approach to study various features of large systems. A common application of QM/MM calculations is the investigation of reaction mechanisms in condensed–phase and biological systems…
Speaker
Presenter
Wayne State University 
DateMarch 22, 2022DNA Polymerase III of _E. coli_ is a multi-subunit enzyme that efficiently catalyzes the replication of DNA. Four of the subunits termed Pol III* include the polymerase (α) and exonuclease (ε) domain, the clamp (β) and an accessory protein (θ)…Presenter
Speaker
Wayne State University- DateAugust 22, 2022Quantum Mechanics/Molecular Mechanics (QM/MM) simulations are a popular approach to study various features of large systems. A common application of QM/MM calculations is the investigation of reaction mechanisms in condensed--phase and biological systems…
Speakers
Presenter
Wayne State University - Xanthine oxidase (XO) is a member of the molybdopterin-containing enzyme family, interconverting xanthine to uric acid as the last step of purine catabolism in the human body. High blood concentrations of uric acid can lead to gout and hyperuricemia…
Presenter
The University of Texas at DallasSpeakers
Wayne State University - The archaeo-eukaryotic primase superfamily is a diverse group of enzymes that can carry out replication, repair, and primer synthesis in order to maintain a healthy genome…
Presenter
Speakers
- Xanthine oxidase (XO) is a member of the molybdopterin-containing enzyme family, interconverting xanthine to uric acid as the last step of purine catabolism in the human body. High blood concentrations of uric acid can lead to gout and hyperuricemia…
Speakers
- : [COMP] Division of Computers in Chemistry
Speakers
Associate Professor, Western University of Health SciencesUniversity of California San DiegoTemple UniversityThe University of Texas at DallasWayne State UniversityUniversity of Texas at ArlingtonUniversity of Illinois at Urbana-ChampaignCarlos Simmerling, PhDProfessor, SUNY Stony BrookPostdoctoral Research Scholar, University of California, San DiegoUniversity of California, San DiegoArizona State University - The archaeo-eukaryotic primase superfamily is a diverse group of enzymes that can carry out replication, repair, and primer synthesis in order to maintain a healthy genome…
Speakers
Wayne State University - : [COMP] Division of Computers in Chemistry
Speakers
University of FloridaUniversity of TennesseeThe University of Texas at DallasWayne State UniversityBall State UniversityUniversity of Wisconsin-Madison - : [COMP] Division of Computers in Chemistry
Speakers
University of South FloridaAssociate Professor, Messiah CollegeIndiana Univ Purdue Univ IndianapolisUniversity of KentuckyAssociate Professor of Chemistry, University of KentuckyBrooklyn CollegeUniversity of PittsburghUniversity of Texas at El Paso University Research InstituteGeorgia Institute of TechnologyGeorgia Institute of TechPhD student, Carnegie Mellon UniversityPhD Student, Carnegie Mellon UniversityCarnegie Mellon UniversityUniversity of AkronAssociate Professor of Chemistry, Missouri State UniversityRutgers The State University of New JerseyResearch Scientist, Lawrence Berkeley National LaboratoryE O Lawrence Berkeley National LaboratoryAssistant Professor, Massachusetts Institute of TechnologyRutgers UniversityGraduate Student, University of Minnesota Twin CitiesUC BerkeleyUC BerkeleyPostdoctoral Associate, University of MinnesotaUniversity of MinnesotaMassachusetts Institute of TechnologyThe University of Texas at DallasWayne State UniversityCatalytic principles from natural enzymes for design of synthetic catalystsUniversity of MissouriUniversity of California San DiegoPostdoctoral Research Scholar, University of California, San DiegoUniversity of California, San DiegoRice UniversityGraduate Student, University of VictoriaUniversity of MarylandProfessor, Uppsala UniversityRheinisch Westfalische Technische Hochschule Aachen Fakultat fur Mathematik Informatik und NaturwissenschaftenHead of Lab Linked Scientific Knowledge, Technische InformationsbibliothekCalifornia Institute of TechnologyUniversity of California RiversideUniversity of CaliforniaGraduate Student, Rutgers UniversityUniv of Ontario Inst of TechSchrodinger IncMathew D. Halls, Ph.D.Senior Vice President, Materials Science, Schrödinger, Inc.Assistant Professor, Missouri State UniversityAssociate Professor, University of KansasPh.D. Student, Massachusetts Institute of TechnologyStony Brook UniversityCarlos Simmerling, PhDProfessor, SUNY Stony BrookProfessor, Indian Institute of Technology KharagpurAssociate Professor, Western University of Health SciencesAssociate Professor of Chemistry, Centenary UniversityPhD Student, Indian Institute of Technology JammuPennsylvania State UnivTexas A&M UniversityNationwide Children's HospitalUniv. of Maryland, PharmacyUniversity of PittsburghUniv of North CarolinaAssistant Professor, Eastern Illinois UniversityUniversity of Texas at DallasBrown UnivUniversity of South FloridaThe University of OklahomaUniversity of Kentucky College of Arts and SciencesChemistry Graduate Student, University of IowaUniversity of IowaThe University of MississippiPurdue UniversityAssistant Professor, University of FindlayAssociate Professor of Chemistry, University of FindlayJohns Hopkins UniversityJohns Hopkins UniversityUniversity of Illinois at Urbana-ChampaignUniversity of MinnesotaThe University of MemphisClarkson UniversityApplication Scientist, OptibriumLafayette CollegeIndian Institute of Technology DelhiUniversity of Wisconsin-Eau ClaireComputational Scientist, Pacific Nortwest National LaboratoryGraduate Student Researcher, University of California San DiegoUniversity of PittsburghMichigan State UniversityArgonne National LaboratoryMichigan State UniversityPostdoctoral Research Scholar, Michigan State UniversityMichigan State UniversityStaff Scientist, Sandia National LabsArizona State UniversityProfessor, Haverford CollegeNorth Dakota State UniversityAssociate Professor, North Dakota State UniversityPennsylvania State UniversityTexas A&M UnivIndiana UnivOld Dominion UniversityNorth Dakota State UniversityAssistant Professor, University of South Carolina SystemFlorida Gulf Coast UniversityAssociate Professor, Texas A&M University SystemSyracuse UniversityAssistant Professor, Oakland UniversityNorth Carolina State University - Xanthine oxidase (XO) is a member of the molybdopterin-containing enzyme family, interconverting xanthine to uric acid as the last step of purine catabolism in the human body. High blood concentrations of uric acid can lead to gout and hyperuricemia…
Speakers
- : [COMP] Division of Computers in Chemistry
Speakers
Associate Professor, Western University of Health SciencesUniversity of California San DiegoTemple UniversityThe University of Texas at DallasWayne State UniversityUniversity of Texas at ArlingtonUniversity of Illinois at Urbana-ChampaignCarlos Simmerling, PhDProfessor, SUNY Stony BrookPostdoctoral Research Scholar, University of California, San DiegoUniversity of California, San DiegoArizona State University - The archaeo-eukaryotic primase superfamily is a diverse group of enzymes that can carry out replication, repair, and primer synthesis in order to maintain a healthy genome…
Speakers
Wayne State University - : [COMP] Division of Computers in Chemistry
Speakers
University of FloridaUniversity of TennesseeThe University of Texas at DallasWayne State UniversityBall State UniversityUniversity of Wisconsin-Madison - : [COMP] Division of Computers in Chemistry
Speakers
University of South FloridaAssociate Professor, Messiah CollegeIndiana Univ Purdue Univ IndianapolisUniversity of KentuckyAssociate Professor of Chemistry, University of KentuckyBrooklyn CollegeUniversity of PittsburghUniversity of Texas at El Paso University Research InstituteGeorgia Institute of TechnologyGeorgia Institute of TechPhD student, Carnegie Mellon UniversityPhD Student, Carnegie Mellon UniversityCarnegie Mellon UniversityUniversity of AkronAssociate Professor of Chemistry, Missouri State UniversityRutgers The State University of New JerseyResearch Scientist, Lawrence Berkeley National LaboratoryE O Lawrence Berkeley National LaboratoryAssistant Professor, Massachusetts Institute of TechnologyRutgers UniversityGraduate Student, University of Minnesota Twin CitiesUC BerkeleyUC BerkeleyPostdoctoral Associate, University of MinnesotaUniversity of MinnesotaMassachusetts Institute of TechnologyThe University of Texas at DallasWayne State UniversityCatalytic principles from natural enzymes for design of synthetic catalystsUniversity of MissouriUniversity of California San DiegoPostdoctoral Research Scholar, University of California, San DiegoUniversity of California, San DiegoRice UniversityGraduate Student, University of VictoriaUniversity of MarylandProfessor, Uppsala UniversityRheinisch Westfalische Technische Hochschule Aachen Fakultat fur Mathematik Informatik und NaturwissenschaftenHead of Lab Linked Scientific Knowledge, Technische InformationsbibliothekCalifornia Institute of TechnologyUniversity of California RiversideUniversity of CaliforniaGraduate Student, Rutgers UniversityUniv of Ontario Inst of TechSchrodinger IncMathew D. Halls, Ph.D.Senior Vice President, Materials Science, Schrödinger, Inc.Assistant Professor, Missouri State UniversityAssociate Professor, University of KansasPh.D. Student, Massachusetts Institute of TechnologyStony Brook UniversityCarlos Simmerling, PhDProfessor, SUNY Stony BrookProfessor, Indian Institute of Technology KharagpurAssociate Professor, Western University of Health SciencesAssociate Professor of Chemistry, Centenary UniversityPhD Student, Indian Institute of Technology JammuPennsylvania State UnivTexas A&M UniversityNationwide Children's HospitalUniv. of Maryland, PharmacyUniversity of PittsburghUniv of North CarolinaAssistant Professor, Eastern Illinois UniversityUniversity of Texas at DallasBrown UnivUniversity of South FloridaThe University of OklahomaUniversity of Kentucky College of Arts and SciencesChemistry Graduate Student, University of IowaUniversity of IowaThe University of MississippiPurdue UniversityAssistant Professor, University of FindlayAssociate Professor of Chemistry, University of FindlayJohns Hopkins UniversityJohns Hopkins UniversityUniversity of Illinois at Urbana-ChampaignUniversity of MinnesotaThe University of MemphisClarkson UniversityApplication Scientist, OptibriumLafayette CollegeIndian Institute of Technology DelhiUniversity of Wisconsin-Eau ClaireComputational Scientist, Pacific Nortwest National LaboratoryGraduate Student Researcher, University of California San DiegoUniversity of PittsburghMichigan State UniversityArgonne National LaboratoryMichigan State UniversityPostdoctoral Research Scholar, Michigan State UniversityMichigan State UniversityStaff Scientist, Sandia National LabsArizona State UniversityProfessor, Haverford CollegeNorth Dakota State UniversityAssociate Professor, North Dakota State UniversityPennsylvania State UniversityTexas A&M UnivIndiana UnivOld Dominion UniversityNorth Dakota State UniversityAssistant Professor, University of South Carolina SystemFlorida Gulf Coast UniversityAssociate Professor, Texas A&M University SystemSyracuse UniversityAssistant Professor, Oakland UniversityNorth Carolina State University - DateMarch 27, 2023Xanthine oxidase (XO) is a member of the molybdopterin-containing enzyme family, interconverting xanthine to uric acid as the last step of purine catabolism in the human body. High blood concentrations of uric acid can lead to gout and hyperuricemia…
Presenter
The University of Texas at DallasSpeakers
Wayne State University - DateAugust 17, 2023Lysyl hydroxylase-2 (LH2) is a Fe(II)/alpha-ketoglutarate-dependent oxygenase superfamily member. This enzyme catalyzes the hydroxylation of lysine to hydroxylysine in collagen, which results in stable hydroxylysine aldehyde-derived collagen cross-links (HLCCs)…
Presenter
The University of Texas at Dallas - DateAugust 15, 2023DNA polymerase γ (Pol γ), the mitochondrial DNA polymerase, plays a critical role in the replication and maintenance of mitochondrial DNA. Mutations in Pol γ have been linked to various diseases…
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Speakers
- DateAugust 15, 2023Mutations caused by single nucleotide polymorphisms (SNPs) have been associated with the development of cancer cells. On the protection of telomeres 1 (POT1), they have been shown to increase the length of telomeres and facilitate the development of melanoma…
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Speakers
- DateAugust 15, 2023Polyketide synthases (PKSs) are a class of large and complex enzymes that are involved in the biosynthesis of various bioactive natural products, which have multiple applications in medicine and agriculture…
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- DateAugust 19, 2024Atomistic computational simulations have become a useful tool for biomolecular research. These tools are now becoming sufficiently accurate to quantify possible changes in the electronic environment around an enzyme active site…
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Wayne State University - DateAugust 22, 2024DNA polymerases play a crucial role in managing genetic information by facilitating the synthesis of DNA strands with exceptional precision, thus upholding the integrity and stability of the human genetic blueprint…
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Speakers
- DateAugust 20, 2024Horseradish peroxidase (HRP) is an important enzyme for industrial purposes due to its ability to oxidize pollutants from wastewater. A previous report indicated that peroxidases can have up to a 20% increase in enzymatic activity in 0…
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Speakers
Wayne State University - DateAugust 20, 2024Protection of telomeres 1 (POT1) is a protein that plays an essential role in the shelterin complex by binding to the telomere and signaling the end of the chromosome. In our previous work, we demonstrated the effects of 3 melanoma-associated mutations on its ability to bind to ssDNA…
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Speakers
- DateAugust 20, 2024Exposure to reactive oxygen species (ROS) results oxidative DNA damage which induces genome instability and mutations. 8-oxo-7,8-dihydro-guanine (OG) is one of the most common DNA lesions resulting from ROS…
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