Kwangho Nam
University of Texas at Arlington
Appearances
- DateJuly 8, 2021Division/Committee: [PHYS] Division of Physical Chemistry
Organizers
University of Texas at ArlingtonChinese Academy of Sciences - DateAugust 25, 2021Division/Committee: [PHYS] Division of Physical Chemistry
Organizers
Chinese Academy of SciencesUniversity of Texas at ArlingtonPresider
Wayne State University - DateAugust 26, 2021Division/Committee: [PHYS] Division of Physical Chemistry
Organizers
Chinese Academy of SciencesUniversity of Texas at ArlingtonPresider
Professor, Umea Universitet - DateAugust 25, 2021Division/Committee: [PHYS] Division of Physical Chemistry
Organizers
Chinese Academy of SciencesUniversity of Texas at ArlingtonPresider
University of California - DateAugust 26, 2021Division/Committee: [PHYS] Division of Physical Chemistry
Organizers
Chinese Academy of SciencesUniversity of Texas at ArlingtonPresider
Bar Ilan University - DateAugust 26, 2021Division/Committee: [PHYS] Division of Physical Chemistry
Organizers
Chinese Academy of SciencesUniversity of Texas at ArlingtonPresider
Georgetown Univ - DateAugust 26, 2021We report a protocol for performing machine learning assisted free energy simulation of solution-phase and enzyme reactions at an ab initio quantum mechanical molecular mechanical (ai-QM/MM) level of accuracy…
Speakers
Presenter
The University of Oklahoma - DateAugust 26, 2021Division/Committee: [PHYS] Division of Physical Chemistry
Organizers
Chinese Academy of SciencesUniversity of Texas at ArlingtonPresider
The University of Oklahoma - DateMarch 20, 2022Adenylate kinase (AdK) binds ATP and AMP to perform a phosphoryl transfer yielding two ADP molecules…
Presenter
Speaker
University of Texas at Arlington - DateMarch 20, 2022In the QM/MM modeling of enzyme reactions and photobiological processes, it is essential to account for long-range QM/MM electrostatic interactions…
Speakers
Presenter
The University of Oklahoma - DateMarch 23, 2022Molecular dynamics free energy simulations employing quantum mechanical/molecular mechanical (QM/MM) potentials are the most effective approach to determine the catalytic free energy profile of enzymatic processes…
Presenter
University of Texas at Arlington - DNA polymerases are enzymes that catalyze the synthesis of DNA molecules from nucleoside triphosphates. DNA polymerase β, a member of X family DNA polymerase, is involved in gap-filling DNA synthesis…
Presenter
Speaker
University of Texas at Arlington - Cyclin-dependent kinase 2 (CDK2) is a member of the CDK family of Ser/Thr protein kinase that is involved in cell cycle regulation. Protein kinases are known to depend on the Mg2+ metal ion to exert their catalytic activity, i.e., the transfer of a phosphoryl group from ATP to a substrate protein…
Presenter
Speakers
University of Texas at Arlington - Division/Committee: [COMP] Division of Computers in Chemistry
Organizers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisPresider
Florida State University - Division/Committee: [COMP] Division of Computers in Chemistry
Organizers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisPresider
- Division/Committee: [COMP] Division of Computers in Chemistry
Organizers
Univ of MinnesotaIndiana Univ Purdue Univ IndianapolisOrganizer, Presider
University of Texas at Arlington - Many enzymes catalyze their catalytic reactions in milliseconds, which often coincides with the time scale of their conformational conversion…
Presenter
University of Texas at Arlington - Division/Committee: [COMP] Division of Computers in Chemistry
Organizers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisPresider
- DNA polymerases are enzymes that catalyze the synthesis of DNA molecules from nucleoside triphosphates. DNA polymerase β, a member of X family DNA polymerase, is involved in gap-filling DNA synthesis…
Speakers
University of Texas at Arlington - : [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 - Cyclin-dependent kinase 2 (CDK2) is a member of the CDK family of Ser/Thr protein kinase that is involved in cell cycle regulation. Protein kinases are known to depend on the Mg2+ metal ion to exert their catalytic activity, i.e., the transfer of a phosphoryl group from ATP to a substrate protein…
Speakers
- : [COMP] Division of Computers in Chemistry
Speakers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisFlorida State UniversityInstitute of Molecular BiophysicsSterling Professor of Chemistry, Yale UniversityMichigan State UnivRutgers UniversityUniversitat Jaume I Escola Superior de Tecnologia i Ciencies ExperimentalsProfessor, Universitat Jaume IProfessor, Purdue University - : [COMP] Division of Computers in Chemistry
Speakers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisThe University of OklahomaUniversity of Colorado DenverUniversity of Central ArkansasWestern Michigan University - Mailstop 5413 - : [COMP] Division of Computers in Chemistry
Speakers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisUniversity of Maryland, BaltimoreArgonne National LaboratoryBowling Green St UnivUniversity of South FloridaUniversitat Wien - Many enzymes catalyze their catalytic reactions in milliseconds, which often coincides with the time scale of their conformational conversion…
Speaker
University of Texas at Arlington - : [COMP] Division of Computers in Chemistry
Speakers
University of Texas at ArlingtonUniv of MinnesotaIndiana Univ Purdue Univ IndianapolisPrinceton UniversityUniversity of Washington - DNA polymerases are enzymes that catalyze the synthesis of DNA molecules from nucleoside triphosphates. DNA polymerase β, a member of X family DNA polymerase, is involved in gap-filling DNA synthesis…
Speakers
University of Texas at Arlington - : [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 - Cyclin-dependent kinase 2 (CDK2) is a member of the CDK family of Ser/Thr protein kinase that is involved in cell cycle regulation. Protein kinases are known to depend on the Mg2+ metal ion to exert their catalytic activity, i.e., the transfer of a phosphoryl group from ATP to a substrate protein…
Speakers
- : [COMP] Division of Computers in Chemistry
Speakers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisFlorida State UniversityInstitute of Molecular BiophysicsSterling Professor of Chemistry, Yale UniversityMichigan State UnivRutgers UniversityUniversitat Jaume I Escola Superior de Tecnologia i Ciencies ExperimentalsProfessor, Universitat Jaume IProfessor, Purdue University - : [COMP] Division of Computers in Chemistry
Speakers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisThe University of OklahomaUniversity of Colorado DenverUniversity of Central ArkansasWestern Michigan University - Mailstop 5413 - : [COMP] Division of Computers in Chemistry
Speakers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisUniversity of Maryland, BaltimoreArgonne National LaboratoryBowling Green St UnivUniversity of South FloridaUniversitat Wien - Many enzymes catalyze their catalytic reactions in milliseconds, which often coincides with the time scale of their conformational conversion…
Speaker
University of Texas at Arlington - : [COMP] Division of Computers in Chemistry
Speakers
University of Texas at ArlingtonUniv of MinnesotaIndiana Univ Purdue Univ IndianapolisPrinceton UniversityUniversity of Washington - DateMarch 27, 2023DNA polymerases are enzymes that catalyze the synthesis of DNA molecules from nucleoside triphosphates. DNA polymerase β, a member of X family DNA polymerase, is involved in gap-filling DNA synthesis…
Presenter
Speaker
University of Texas at Arlington - DateMarch 27, 2023Cyclin-dependent kinase 2 (CDK2) is a member of the CDK family of Ser/Thr protein kinase that is involved in cell cycle regulation. Protein kinases are known to depend on the Mg2+ metal ion to exert their catalytic activity, i.e., the transfer of a phosphoryl group from ATP to a substrate protein…
Presenter
Speakers
University of Texas at Arlington - DateMarch 27, 2023DIVISION/COMMITTEE: [COMP] Division of Computers in Chemistry
Organizers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisPresider
Florida State University - DateMarch 27, 2023DIVISION/COMMITTEE: [COMP] Division of Computers in Chemistry
Organizers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisPresider
- DateMarch 28, 2023DIVISION/COMMITTEE: [COMP] Division of Computers in Chemistry
Organizers
Univ of MinnesotaIndiana Univ Purdue Univ IndianapolisOrganizer, Presider
University of Texas at Arlington - DateMarch 28, 2023Many enzymes catalyze their catalytic reactions in milliseconds, which often coincides with the time scale of their conformational conversion…
Presenter
University of Texas at Arlington - DateMarch 28, 2023DIVISION/COMMITTEE: [COMP] Division of Computers in Chemistry
Organizers
Univ of MinnesotaUniversity of Texas at ArlingtonIndiana Univ Purdue Univ IndianapolisPresider
- DateMarch 20, 2024Enzymes are known for their remarkable substrate selectivity and robust catalytic power. In many enzymes, this selectivity relies on ligand-driven conformational changes, which have sparked debates on the induced-fit and conformational selection models…
Presenter
University of Texas at Arlington - DateAugust 19, 2024Machine learning potentials (MLPs) have shown promise in predicting potential energy surfaces (PESs) for biomolecular systems. However, challenges remain in their application to enzymatic reactions, especially in large and heterogeneous systems…
Presenter
University of Texas at ArlingtonSpeakers
- DateAugust 22, 2024The use of two magnesium (Mg2+) ions for catalysis by protein kinases remains a subject of debate. While some kinases have been shown to bind two Mg2+ ions, others appear to bind only one…
Presenter
Speaker
University of Texas at Arlington - DateMarch 24, 2025Enzyme function involves not only chemical transformations but also processes such as ligand binding/release, allostery and large-scale conformational transitions, which often occur in concert, making their theoretical study challenging…
Presenter
University of Texas at Arlington - DateAugust 19, 2025Life continuously adapts to environmental changes, with temperature serving as a major evolutionary driver. Enzymes, in particular, have evolved to exhibit remarkable stability and function under extreme thermal conditions ranging from −20°C to 121°C…
Presenter
Co-Author
University of Texas at Arlington
