In-Chul Yeh

发表

Peptide loop-closure kinetics from microsecond molecular dynamics simulations in explicit solvent.

G. Hummer, In-Chul Yeh, 2002, Journal of the American Chemical Society.

Calculation of protein heat capacity from replica-exchange molecular dynamics simulations with different implicit solvent models.

Michael S. Lee, M. A. Olson, In-Chul Yeh, 2008, The journal of physical chemistry. B.

Ewald summation for systems with slab geometry

M. Berkowitz, In-Chul Yeh, 1999 .

PSPP: A Protein Structure Prediction Pipeline for Computing Clusters

Jaques Reifman, Valmik Desai, Nela Zavaljevski, 2009, PloS one.

Diffusion and electrophoretic mobility of single-stranded RNA from molecular dynamics simulations.

Gerhard Hummer, G. Hummer, In-Chul Yeh, 2004, Biophysical journal.

Effects of the polarizability and water density constraint on the structure of water near charged surfaces: Molecular dynamics simulations

M. Berkowitz, In-Chul Yeh, 2000 .

Structure and dynamics of end-to-end loop formation of the penta-peptide Cys-Ala-Gly-Gln-Trp in implicit solvents.

A. Wallqvist, In-Chul Yeh, 2009, The journal of physical chemistry. B.

A Web-Accessible Protein Structure Prediction Pipeline

Michael S. Lee, J. Reifman, N. Zavaljevski, 2009, 2009 DoD High Performance Computing Modernization Program Users Group Conference.

Dielectric constant of water at high electric fields: Molecular dynamics study

M. Berkowitz, In-Chul Yeh, 1999 .

Kinetic energy release distribution in C6H+6 → C6H+4 + H2. Partitioning of the reverse critical energy

In-Chul Yeh, M. Kim, Young-Hwan Kim, 1993 .

Calculations of free energy of surface interactions in crystalline polyethylene.

In-Chul Yeh, J. Andzelm, 2018, The Journal of chemical physics.

Analysis of a mass‐analyzed ion kinetic energy profile. II. Systematic determination of the kinetic energy release distribution

In-Chul Yeh, M. Kim, 1992 .

Analysis of a mass-analyzed ion kinetic energy profile. I. Analytical expression for a peak shape at a single kinetic energy release

In-Chul Yeh, Soobang Kim, 1992 .

Molecular Dynamics Simulation of the Effects of Layer Thickness and Chain Tilt on Tensile Deformation Mechanisms of Semicrystalline Polyethylene

In-Chul Yeh, G. Rutledge, J. Lenhart, 2017 .

Investigating the glass transition temperature at the atom-level in select model polyamides: A molecular dynamics study

In-Chul Yeh, T. Chantawansri, A. Hsieh, 2015 .

Computational Study of Structural and Energetic Properties of Ammonium Perchlorate at Interfaces

In-Chul Yeh, J. Andzelm, 2021 .

Ordering and Crystallization of Entangled Polyethylene Melts under Uniaxial Tension: A Molecular Dynamics Study

Yelena R. Sliozberg, In-Chul Yeh, Kevin A. Masser, 2018, Macromolecules.

Molecular Dynamics Simulations of Adsorption of Catechol and Related Phenolic Compounds to Alumina Surfaces

Joseph L. Lenhart, In-Chul Yeh, J. Lenhart, 2015 .

Effects of Finite Lengths of Chains on the Structural and Mechanical Properties of Polyethylene Fibers

In-Chul Yeh, J. Lenhart, J. Andzelm, 2020 .

Vibrational Analysis of Semicrystalline Polyethylene Using Molecular Dynamics Simulation

In-Chul Yeh, G. Rutledge, J. Andzelm, 2017 .

Mechanical and Structural Characterization of Semicrystalline Polyethylene under Tensile Deformation by Molecular Dynamics Simulations

Gregory C. Rutledge, Jan W. Andzelm, In-Chul Yeh, 2015 .

Free energy difference in indolicidin attraction to eukaryotic and prokaryotic model cell membranes.

Anders Wallqvist, A. Wallqvist, D. Ripoll, 2012, The journal of physical chemistry. B.

On the proper calculation of electrostatic interactions in solid-supported bilayer systems.

A. Wallqvist, In-Chul Yeh, 2011, The Journal of chemical physics.

A Software Pipeline for Protein Structure Prediction

Jaques Reifman, Nela Zavaljevski, Paul Wilson, 2006 .

Computational study of thermal and mechanical properties of nylons and bio-based furan polyamides

J. Scala, In-Chul Yeh, B. Rinderspacher, 2014 .

Molecular Dynamics Simulation Study of Adsorption of Bioinspired Oligomers on Alumina Surfaces.

In-Chul Yeh, J. Lenhart, B. Rinderspacher, 2019, The journal of physical chemistry. B.

Photodetachment spectra of Cl−(H2O)n clusters. Predictions and comparisons

M. Berkowitz, In-Chul Yeh, L. Perera, 1997 .

Structure and dynamics of water at water|Pt interface as seen by molecular dynamics computer simulation

M. Berkowitz, In-Chul Yeh, 1998 .

Coarse‐grained lattice model simulations of sequence‐structure fitness of a ribosome‐inactivating protein

Michael S. Lee, M. A. Olson, In-Chul Yeh, 2008, Biopolymers.

Nucleic acid transport through carbon nanotube membranes.

Gerhard Hummer, G. Hummer, In-Chul Yeh, 2004, Proceedings of the National Academy of Sciences of the United States of America.

Accelerating Biomedical Research in Designing Diagnostic Assays, Drugs, and Vaccines

Jaques Reifman, Rajkumar Bondugula, Xin Hu, 2010, Computing in Science & Engineering.

Kinetics studies and characterization of poly(furfuryl alcohol) for use as bio‐based furan novolacs

Faye R. Toulan, Joshua M. Sadler, J. Scala, 2018 .

Free-energy profiles of membrane insertion of the M2 transmembrane peptide from influenza A virus.

Anders Wallqvist, Mark A Olson, Michael S. Lee, 2008, Biophysical journal.