CHBC Faculty Publications

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TitleUA AuthorPublication NameYear
Dipole Cooperativity and Polarization Frustration Determine the Secondary Structure Distribution of Short Alanine Peptides in WaterWang, FengJournal of Physical Chemistry B2023
Dipole Cooperativity and Polarization Frustration Determine the Secondary Structure Distribution of Short Alanine Peptides in WaterYuan, YingJournal of Physical Chemistry B2023
How to Characterize Amorphous Shapes: The Tale of a Reverse MicelleDerakhshani Molayousefi, MortazaJournal of Physical Chemistry B2022
Mechanistic Picture for Monomeric Human Fibroblast Growth Factor 1 Stabilization by Heparin BindingAgrawal, Shilpi P.Journal of Physical Chemistry B2021
Mechanistic Picture for Monomeric Human Fibroblast Growth Factor 1 Stabilization by Heparin BindingKumar, Thallapuranam Krishnaswamy SureshJournal of Physical Chemistry B2021
Mechanistic Picture for Monomeric Human Fibroblast Growth Factor 1 Stabilization by Heparin BindingKumar, Vivek GovindJournal of Physical Chemistry B2021
Development and Validation of a DFT-Based Force Field for a Hydrated Homoalanine PolypeptideMa, ZhonghuaJournal of Physical Chemistry B2021
Mechanistic Picture for Monomeric Human Fibroblast Growth Factor 1 Stabilization by Heparin BindingMoradi, MahmoudJournal of Physical Chemistry B2021
Mechanistic Picture for Chemomechanical Coupling in a Bacterial Proton-Coupled Oligopeptide Transporter from Streptococcus ThermophilusMoradi, MahmoudJournal of Physical Chemistry B2021
Development and Validation of a DFT-Based Force Field for a Hydrated Homoalanine PolypeptideWang, FengJournal of Physical Chemistry B2021
Development and Validation of a DFT-Based Force Field for a Hydrated Homoalanine PolypeptideYuan, YingJournal of Physical Chemistry B2021
Comparing Alchemical Free Energy Estimates to Experimental Values Based on the Ben-Naim Formula: How Much Agreement Can We Expect?Rogers, Timothy RyanJournal of Physical Chemistry B2020
Comparing Alchemical Free Energy Estimates to Experimental Values Based on the Ben-Naim Formula: How Much Agreement Can We Expect?Wang, FengJournal of Physical Chemistry B2020
Breaking the Backbone: Central Arginine Residues Induce Membrane Exit and Helix Distortions within a Dynamic Membrane PeptideGreathouse, Denise V.Journal of Physical Chemistry B2019
From a Liquid to a Crystal without Going through a First-Order Phase Transition: Determining the Free Energy of Melting with Glassy IntermediatesHu, HongyiJournal of Physical Chemistry B2019
Breaking the Backbone: Central Arginine Residues Induce Membrane Exit and Helix Distortions within a Dynamic Membrane PeptideKoeppe II, Roger ErdmanJournal of Physical Chemistry B2019
Surface Penetration without Enrichment: Simulations Show Ion Surface Propensities Consistent with Both Elevated Surface Tension and Surface Sensitive SpectroscopyLi, JicunJournal of Physical Chemistry B2019
Breaking the Backbone: Central Arginine Residues Induce Membrane Exit and Helix Distortions within a Dynamic Membrane PeptideMcKay, Matthew JohnJournal of Physical Chemistry B2019
From a Liquid to a Crystal without Going through a First-Order Phase Transition: Determining the Free Energy of Melting with Glassy IntermediatesWang, FengJournal of Physical Chemistry B2019
Surface Penetration without Enrichment: Simulations Show Ion Surface Propensities Consistent with Both Elevated Surface Tension and Surface Sensitive SpectroscopyWang, FengJournal of Physical Chemistry B2019
What Can and Cannot Be Learned from Molecular Dynamics Simulations of Bacterial Proton-Coupled Oligopeptide Transporter GkPOT?Hettige, Jeevapani J.Journal of Physical Chemistry B2017
What Can and Cannot Be Learned from Molecular Dynamics Simulations of Bacterial Proton-Coupled Oligopeptide Transporter GkPOT?Immadisetty, Kalyan C.Journal of Physical Chemistry B2017
Accurate Prediction of the Hydration Free Energies of 20 Salts through Adaptive Force Matching and the Proper Comparison with Experimental ReferencesLi, JicunJournal of Physical Chemistry B2017
What Can and Cannot Be Learned from Molecular Dynamics Simulations of Bacterial Proton-Coupled Oligopeptide Transporter GkPOT?Moradi, MahmoudJournal of Physical Chemistry B2017
Accurate Prediction of the Hydration Free Energies of 20 Salts through Adaptive Force Matching and the Proper Comparison with Experimental ReferencesWang, FengJournal of Physical Chemistry B2017
The Effect of Core Correlation on the MP2 Hydration Free Energies of Li+, Na+, and K+Li, JicunJournal of Physical Chemistry B2016
The Effect of Core Correlation on the MP2 Hydration Free Energies of Li+, Na+, and K+Wang, FengJournal of Physical Chemistry B2016
Visible-Light Photocatalyzed Cross-Linking of Diacetylene Ligands by Quantum Dots to Improve Their Aqueous Colloidal StabilityHeyes, Colin DavidJournal of Physical Chemistry B2014
Ab Initio Molecular Dynamics Study of the Aqueous HOO- IonMa, ZhonghuaJournal of Physical Chemistry B2014
Visible-Light Photocatalyzed Cross-Linking of Diacetylene Ligands by Quantum Dots to Improve Their Aqueous Colloidal StabilityTakeuchi, HirokoJournal of Physical Chemistry B2014
Stable Salt-Water Cluster Structures Reflect the Delicate Competition between Ion-Water and Water-Water InteractionsWang, FengJournal of Physical Chemistry B2014
Single Tryptophan and Tyrosine Comparisons in the N-Terminal and C-Terminal Interface Regions of Transmembrane GWALP PeptidesGleason, Nicholas JamesJournal of Physical Chemistry B2013
Single Tryptophan and Tyrosine Comparisons in the N-Terminal and C-Terminal Interface Regions of Transmembrane GWALP PeptidesGreathouse, Denise V.Journal of Physical Chemistry B2013
Single Tryptophan and Tyrosine Comparisons in the N-Terminal and C-Terminal Interface Regions of Transmembrane GWALP PeptidesKoeppe II, Roger ErdmanJournal of Physical Chemistry B2013
Membrane Organization and Dynamics of "Inner Pair" and "Outer Pair" Tryptophan Residues in Gramicidin ChannelsGu, HongJournal of Physical Chemistry B2012
Accommodation of a Central Arginine in a Transmembrane Peptide by Changing the Placement of Anchor ResiduesKoeppe II, Roger ErdmanJournal of Physical Chemistry B2012
Membrane Organization and Dynamics of "Inner Pair" and "Outer Pair" Tryptophan Residues in Gramicidin ChannelsKoeppe II, Roger ErdmanJournal of Physical Chemistry B2012
Accommodation of a Central Arginine in a Transmembrane Peptide by Changing the Placement of Anchor ResiduesVostrikov, Vitaly V.Journal of Physical Chemistry B2012
Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. I: Molecular Dynamics SimulationsGu, HongJournal of Physical Chemistry B2011
Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. II: Nuclear Magnetic Resonance ExperimentsGu, HongJournal of Physical Chemistry B2011
Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. I: Molecular Dynamics SimulationsHinton, James F.Journal of Physical Chemistry B2011
Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. II: Nuclear Magnetic Resonance ExperimentsHinton, James F.Journal of Physical Chemistry B2011
Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. I: Molecular Dynamics SimulationsKoeppe II, Roger ErdmanJournal of Physical Chemistry B2011
Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. II: Nuclear Magnetic Resonance ExperimentsKoeppe II, Roger ErdmanJournal of Physical Chemistry B2011
Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. I: Molecular Dynamics SimulationsVostrikov, Vitaly V.Journal of Physical Chemistry B2011
Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. II: Nuclear Magnetic Resonance ExperimentsVostrikov, Vitaly V.Journal of Physical Chemistry B2011
Multifunctional, catalytic nanowire membranes and the membrane-based 3D devicesCogbill, AndrewJournal of Physical Chemistry B2006
One-pot redox syntheses of heteronanostructures of Ag nanoparticles on MoO3 nanoribersCogbill, AndrewJournal of Physical Chemistry B2006
Multifunctional, catalytic nanowire membranes and the membrane-based 3D devicesDong, WenjunJournal of Physical Chemistry B2006
One-pot redox syntheses of heteronanostructures of Ag nanoparticles on MoO3 nanoribersDong, WenjunJournal of Physical Chemistry B2006
Multifunctional, catalytic nanowire membranes and the membrane-based 3D devicesGhosh, SamratJournal of Physical Chemistry B2006
Multifunctional, catalytic nanowire membranes and the membrane-based 3D devicesTian, Z. RyanJournal of Physical Chemistry B2006
One-pot redox syntheses of heteronanostructures of Ag nanoparticles on MoO3 nanoribersTian, Z. RyanJournal of Physical Chemistry B2006
Solid-state transformation from self-assembled nanosheets into ordered nanorodsTian, Z. RyanJournal of Physical Chemistry B2006
Multifunctional, catalytic nanowire membranes and the membrane-based 3D devicesZhang, TieruiJournal of Physical Chemistry B2006
Environmental effects on photoluminescence of highly luminescent CdSe and CdSe/ZnS core/shell nanocrystals in polymer thin filmsPeng, XiaogangJournal of Physical Chemistry B2004
Environmental effects on photoluminescence of highly luminescent CdSe and CdSe/ZnS core/shell nanocrystals in polymer thin filmsQu, LianjuaJournal of Physical Chemistry B2004
Environmental effects on photoluminescence of highly luminescent CdSe and CdSe/ZnS core/shell nanocrystals in polymer thin filmsYu, W. WilliamJournal of Physical Chemistry B2004
Conducting pathways in organic solids: A phenalenyl-based neutral radical of low conductivityCordes, A. WallaceJournal of Physical Chemistry B2002
Theoretical and experimental study of the vibrational spectra of the alpha, beta, and delta phases of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)Diaz-Acosta, IrinaJournal of Physical Chemistry B2002
Theoretical and experimental study of the vibrational spectra of the alpha, beta, and delta phases of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)Pulay, PeterJournal of Physical Chemistry B2002
Mobility and clustering of Rh and Ru in zeolite. Experiment and theoryBlyholder, George D.Journal of Physical Chemistry B1998
Mobility and clustering of Rh and Ru in zeolite. Experiment and theoryConners, Laura AnneJournal of Physical Chemistry B1998
Mobility and clustering of Rh and Ru in zeolite. Experiment and theoryHollis, Tammy RenéeJournal of Physical Chemistry B1998
Mobility and clustering of Rh and Ru in zeolite. Experiment and theoryJohnson, Dale AllenJournal of Physical Chemistry B1998
Molecular dynamics modeling of clay minerals .1. Gibbsite, kaolinite, pyrophyllite, and beidelliteSchäfer, LotharJournal of Physical Chemistry B1997