Yinglong Miao
Associate Professor, University of Kansas
Appearances
DateApril 8, 2021Angiotensin converting enzyme 2 (ACE2) plays a key role in renin-angiotensin system (RAS) regulation, amino acid homeostasis and acts as a severe acute respiratory syndrome-coronavirus (SARS-CoV and SARS-CoV2) receptor…Presenter
PhD Candidate, University of KansasSpeakers
Associate Professor, University of Kansas
DateJuly 8, 2021Division/Committee: [COMP] Division of Computers in ChemistryOrganizers
Associate Professor, University of KansasTemple University
DateAugust 22, 2021Adenosine A1 receptor (A1AR) is a G-protein-coupled receptor (GPCR) that has served as an important drug target. Activation of the A1AR is able to protect the myocardium against ischemia-reperfusion injury and reduce neuropathic pain…Presenter
Associate Professor, University of KansasSpeakers
Post-Doc, university of kansas- DateAugust 23, 2021The Musashi RNA-binding proteins (RBPs) regulate translation of target mRNAs and maintenance of cell stemness and tumorigenesis…
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Post-Doc, university of kansasSpeakers
- DateAugust 24, 2021Biomolecular recognition such as binding of small molecules and flexible peptides to target proteins plays key roles in cellular function. It is critical to characterize thermodynamics and kinetics of biomolecular recognition for drug design…
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Associate Professor, University of Kansas - DateAugust 22, 2021Division/Committee: [COMP] Division of Computers in Chemistry
Organizers
Temple UniversityAssociate Professor, University of KansasPresider
Temple University - DateAugust 22, 2021Division/Committee: [COMP] Division of Computers in Chemistry
Organizers
Temple UniversityAssociate Professor, University of KansasPresider
Associate Professor, The University of Texas at Dallas - DateAugust 22, 2021Division/Committee: [COMP] Division of Computers in Chemistry
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Temple UniversityAssociate Professor, University of KansasPresider
Georgia Tech - DateAugust 22, 2021Division/Committee: [COMP] Division of Computers in Chemistry
Organizers
Temple UniversityAssociate Professor, University of KansasPresider
University of California - DateAugust 23, 2021Division/Committee: [COMP] Division of Computers in Chemistry
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Temple UniversityAssociate Professor, University of KansasPresider
Associate Professor, University of Kansas - DateAugust 23, 2021Division/Committee: [COMP] Division of Computers in Chemistry
Organizers
Temple UniversityAssociate Professor, University of KansasPresider
Wayne State University - DateAugust 23, 2021Division/Committee: [COMP] Division of Computers in Chemistry
Organizers
Temple UniversityAssociate Professor, University of KansasPresider
Michigan State University - DateAugust 23, 2021Division/Committee: [COMP] Division of Computers in Chemistry
Organizers
Temple UniversityAssociate Professor, University of KansasPresider
University of Maryland at College Park - DateAugust 25, 2021Division/Committee: [COMP] Division of Computers in Chemistry
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Temple UniversityAssociate Professor, University of KansasPresider
Assistant Professor, Massachusetts Institute of Technology - DateAugust 25, 2021Division/Committee: [COMP] Division of Computers in Chemistry
Organizers
Temple UniversityAssociate Professor, University of KansasPresider
Academia Sinica - DateAugust 25, 2021Amyloid β-peptide, the principal component of characteristic cerebral plaques of Alzheimer’s disease (AD), is produced through intramembrane proteolysis of the amyloid precursor protein (APP) by γ-secretase…
Presenter
PhD Candidate, University of KansasSpeakers
Post-Doc, university of kansasResearch associate, The University of KansasAssociate Professor, University of Kansas - DateMarch 20, 2022Gaussian accelerated molecular dynamics (GaMD) is a robust enhanced sampling technique that works by applying a harmonic boost potential to reduce system energy barriers and accelerate biomolecular simulations by orders of magnitude…
Presenter
Associate Professor, University of Kansas - DateAugust 21, 2022Protein-protein interactions (PPIs) play key roles in many fundamental biological processes such as cellular signaling and immune responses…
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Post-Doc, university of kansasSpeaker
Associate Professor, University of Kansas - DateAugust 23, 2022INTRODUCTION: Molecular dynamics (MD) is a powerful computational technique for simulating biomolecular dynamics at an atomistic level. Gaussian accelerated molecular dynamics (GaMD) is an unconstrained enhanced sampling technique that allows for accurate free energy calculations…
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Post-Doc, university of kansasPhD Candidate, University of KansasAssociate Professor, University of Kansas - G-protein-coupled receptors (GPCRs) are the largest superfamily of human membrane proteins and represent primary targets of ~1/3 of currently marketed drugs. Allosteric modulators have emerged as more selective drug candidates compared with orthosteric agonist and antagonist ligands…
Speakers
Presenter
Associate Professor, University of Kansas - G-protein-coupled receptors (GPCRs) are the largest superfamily of human membrane proteins and represent primary targets of ~1/3 of currently marketed drugs. Allosteric modulators have emerged as more selective drug candidates compared with orthosteric agonist and antagonist ligands…
Speakers
Post-Doc, university of kansasAssociate Professor, University of Kansas - : [COMP] Division of Computers in Chemistry
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Purdue UnivRutgers UniversityBrooklyn CollegeUniv of MissouriPost-Doc, university of kansasAssociate Professor, University of Kansas - G-protein-coupled receptors (GPCRs) are the largest superfamily of human membrane proteins and represent primary targets of ~1/3 of currently marketed drugs. Allosteric modulators have emerged as more selective drug candidates compared with orthosteric agonist and antagonist ligands…
Speakers
Post-Doc, university of kansasAssociate Professor, University of Kansas - : [COMP] Division of Computers in Chemistry
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Purdue UnivRutgers UniversityBrooklyn CollegeUniv of MissouriPost-Doc, university of kansasAssociate Professor, University of Kansas - : [COMP] Division of Computers in Chemistry
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University of South FloridaAssociate Professor, Messiah CollegeIndiana Univ Purdue Univ IndianapolisUniversity of KentuckyFordham UniversityAssociate 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 JerseyCarnegie Mellon UniversityResearch 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 Chicago Division of the Physical SciencesMassachusetts Institute of TechnologyThe University of Texas at DallasWayne State UniversityCatalytic principles from natural enzymes for design of synthetic catalysts, University of California San DiegoUniversity 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 - G-protein-coupled receptors (GPCRs) are the largest superfamily of human membrane proteins and represent primary targets of ~1/3 of currently marketed drugs. Allosteric modulators have emerged as more selective drug candidates compared with orthosteric agonist and antagonist ligands…
Speakers
Post-Doc, university of kansasAssociate Professor, University of Kansas - : [COMP] Division of Computers in Chemistry
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Purdue UnivRutgers UniversityBrooklyn CollegeUniv of MissouriPost-Doc, university of kansasAssociate Professor, University of Kansas - : [COMP] Division of Computers in Chemistry
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University of South FloridaAssociate Professor, Messiah CollegeIndiana Univ Purdue Univ IndianapolisUniversity of KentuckyFordham UniversityAssociate 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 JerseyCarnegie Mellon UniversityResearch 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 Chicago Division of the Physical SciencesMassachusetts Institute of TechnologyThe University of Texas at DallasWayne State UniversityCatalytic principles from natural enzymes for design of synthetic catalysts, University of California San DiegoUniversity 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, 2023G-protein-coupled receptors (GPCRs) are the largest superfamily of human membrane proteins and represent primary targets of ~1/3 of currently marketed drugs. Allosteric modulators have emerged as more selective drug candidates compared with orthosteric agonist and antagonist ligands…Speakers
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Associate Professor, University of Kansas- DateMarch 28, 2023Molecular dynamics (MD) is a powerful computational technique for biomolecular simulations. Deep learning (DL) has been applied to enhance MD simulations and further automate the technique…
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Associate Professor, University of Kansas - DateAugust 15, 2023Biomolecular simulations often suffer from insufficient conformational sampling, due to long timescales and high energy barriers of biological processes. I will present our recent efforts in developing new accelerated simulation and Deep Learning (DL) techniques to address this challenge…
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Post-Doc, university of kansasPresenter
Associate Professor, University of Kansas - DateAugust 13, 2023G-protein-coupled receptors (GPCRs) represent the largest superfamily of human membrane proteins with >800 members and serve as primary targets of about 1/3 of currently marketed drugs…
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Post-Doc, university of kansasPresenter
Associate Professor, University of Kansas - DateAugust 15, 2023Ligand binding thermodynamics and kinetics are critical parameters for drug design. However, it has proven challenging to efficiently predict ligand binding thermodynamics and kinetics from molecular simulations due to limited simulation timescales…
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Post-Doc, university of kansasSpeaker
Associate Professor, University of Kansas - DateMarch 20, 2024The COVID-19 pandemic, driven by SARS-CoV-2, has spurred an urgent need for effective therapeutic interventions. The spike glycoprotein of the SARS-CoV-2 is crucial for infiltrating host cells, rendering it a key candidate for drug development…
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Wayne State UniversitySpeakers
Post-Doc, university of kansasAssociate Professor, University of Kansas - DateMarch 25, 2025It is critical to predict binding thermodynamics and kinetics of biomolecules for effective therapeutic design. However, such task has proven challenging for particularly conventional Molecular Dynamics (MD), due to limited simulation timescales…
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Associate Professor, University of Kansas - DateMarch 24, 2025G-protein-coupled receptors (GPCRs) represent the largest family of human membrane proteins that are targeted by ~1/3 of currently marketed drugs…
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Associate Professor, University of Kansas - DateAugust 18, 2025Adhesion G-protein–coupled receptors (ADGRs) belong to Class B2 of GPCRs and are involved in a wide array of important physiological processes…
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Co-Author
Associate Professor, University of Kansas - DateAugust 20, 2025Gaussian accelerated Molecular Dynamics (GaMD) is an enhanced sampling computational technique that works by applying a harmonic boost potential to reduce system energy barriers and accelerate molecular dynamics simulations by orders of magnitude…
Presenter
Associate Professor, University of Kansas - DateAugust 20, 2025Gaussian accelerated Molecular Dynamics (GaMD) is a robust unconstrained enhanced sampling technique for free energy calculations of large biomolecules…
Presenter
Associate Professor, University of Kansas
