S. Jang

发表

Quantum phase transition of water clusters: molecular dynamics simulations with a model potential

Seokmin Shin, W. Son, S. Jang, 2004 .

Replica-exchange method using the generalized effective potential.

Seokmin Shin, S. Jang, Youngshang Pak, 2003, Physical review letters.

Effects of cyclodextrin complexes acting as barriers on TiO2 nanoparticles in DSSCs

S. Jang, Sungjin Park, J. Won, 2014 .

Symmetrically functionalized diketopyrrolopyrrole with alkylated thiophene moiety: from synthesis to electronic devices applications

T. Shin, S. Jang, S. Pyo, 2014, Journal of Materials Science.

A docking study of enhanced intracellular survival protein from Mycobacterium tuberculosis with human DUSP16/MKP‐7

Jin Kuk Yang, S. Jang, S. Suh, 2013 .

Applications of higher order composite factorization schemes in imaginary time path integral simulations

Soonmin Jang, Gregory A. Voth, Seogjoo J. Jang, 2001 .

Conformational sampling of metastable states: Tq-REM as a novel replica exchange method.

Seokmin Shin, S. Jang, Jeseong Yoon, 2017, Physical chemistry chemical physics : PCCP.

Conformational Characteristics of Unstructured Peptides: α-Synuclein

Seokmin Shin, S. Jang, Jeseong Yoon, 2008 .

Theoretical investigation of the photoinitiated folding of HP‐36

Seokmin Shin, S. Jang, N. Sreerama, 2006, Protein science : a publication of the Protein Society.

Interfacial interactions and dispersion relations in carbon–aluminium nanocomposite systems

M. J. Kim, J. Myoung, S. Jang, 2008, Nanotechnology.

All-atom ab initio native structure prediction of a mixed fold (1FME): a comparison of structural and folding characteristics of various beta beta alpha miniproteins.

S. Jang, Youngshang Pak, Eunae Kim, 2009, The Journal of chemical physics.

Computational study on the structural diversity of amyloid Beta Peptide (abeta(10-35)) oligomers.

Seokmin Shin, S. Jang, 2008, The journal of physical chemistry. B.

Surface-Enhanced Raman Sensing of Semi-Volatile Organic Compounds by Plasmonic Nanostructures

N. Ly, S. Jang, S. Joo, 2021, Nanomaterials.

Simulated Q-annealing: conformational search with an effective potential

Seokmin Shin, W. Son, S. Jang, 2011, Journal of Molecular Modeling.

Folding simulations with novel conformational search method.

Seokmin Shin, W. Son, S. Jang, 2007, The Journal of chemical physics.

Amyloid beta-peptide oligomerization in silico: dimer and trimer.

Seokmin Shin, S. Jang, 2006, The journal of physical chemistry. B.

Formation of metal complex ions from amino acid in the presence of Li+, Na+ and K+ by electrospray ionization: metal replacement of hydrogen in the ligands.

S. Jang, Sung‐Seen Choi, Hyunsik Kim, 2011, Journal of mass spectrometry : JMS.

Facile synthesis of arylthiophenyl-functionalized diketopyrrolopyrrole derivatives via direct C–H arylation: characterization and utilization in organic electronic devices

Amit Kumar, T. Shin, S. Jang, 2016 .

The point mutation of the cholesterol trafficking membrane protein NPC1 may affect its proper function in more than a single step: Molecular dynamics simulation study

S. Jang, H. Yoon, H. Lee, 2022, Comput. Biol. Chem..

Adsorption of 4-Biphenylmethanethiolate on Different-Sized Gold Nanoparticle Surfaces

Seokmin Shin, S. Jang, S. Joo, 2004 .

Free energy surfaces of miniproteins with a ββα motif: Replica exchange molecular dynamics simulation with an implicit solvation model

S. Jang, Youngshang Pak, Eunae Kim, 2005 .

Vibrational Spectroscopic Estimation of Semivolatile Organic Compound Evaporation From Glass Surfaces

N. Ly, S. Jang, S. Joo, 2020 .

Binding free energy of several sterols to the N‐terminal domain of Niemann‐Pick C1 ‐like 1 protein due to mutation: Molecular dynamics study

S. Jang, H. Yoon, H. Lee, 2022, Journal of the Chinese Chemical Society.

All-atom level direct folding simulation of a betabetaalpha miniprotein.

S. Jang, Youngshang Pak, Eunae Kim, 2008, The Journal of chemical physics.

Oxygen radical-mediated oxidation reactions of an alanine peptide motif - density functional theory and transition state theory study

S. Jang, Jia-Yaw Chang, Hsiu-Feng Lu, 2012, Chemistry Central Journal.

Conformational Characteristics of

Seokmin Shin, S. Jang, Jeseong Yoon, 2008 .

Carboxylate selective anion receptor based on two anthracenes with malonamide spacer

S. Jang, Hyunsik Kim, Sung kyu Lee, 2011 .

Solid‐Phase Total Synthesis of the Proposed Structure of Coibamide A and Its Derivative: Highly Methylated Cyclic Depsipeptides

Jaekwan Park, S. Jang, Hyunsik Kim, 2015 .

The contribution of polar C–H hydrogen bonds to anion binding

S. Jang, Jongmin Kang, Yusun Choi, 2016 .

A fluoride selective water-soluble anion receptor based on a 1,2-phenylenediacetic acid and calcium ion dimer

S. Jang, Nayeon Kim, Jongmin Kang, 2019, New Journal of Chemistry.

A Naked Eye Detection of Fluoride with Urea Receptors Which have both an Azo Group and a Nitrophenyl Group as a Signaling Group

S. Jang, Jin Joo Park, Jongmin Kang, 2010 .

A Naked Eye Detection of Fluoride with Urea Receptors which Have Both an Azo Group and a Nitrophenyl Group as a Signaling Group.

S. Jang, Jin Joo Park, Jongmin Kang, 2010 .

Comparison of ionization behaviors of ring and linear carbohydrates in MALDI-TOFMS

S. Jang, Sung‐Seen Choi, H. Lee, 2009 .

Asymmetric nucleophilic substitution of α-bromo amides via dynamic kinetic resolution for the preparation of dipeptide analogues

S. Jang, Yangmee Kim, Ji-yeon Chang, 2004 .

Synthesis and Conformational Study of Ser and Cys Derivatives of N-Hydroxy Diketopiperazine

S. Jang, D. Lim, Kyunghee Lee, 2007 .

Structure of 4‐biphenylthiolate on Au nanoparticle surfaces studied by UV‐Vis absorption spectroscopy, transmission electron microscopy and surface‐enhanced Raman scattering

Seokmin Shin, S. Jang, S. Joo, 2004 .

Characterization of fragmentation behaviors of protonated α-cyclodextrin generated by electrospray ionization.

S. Jang, Sung‐Seen Choi, 2020, Rapid communications in mass spectrometry : RCM.

Theoretical Investigation of the Mechanism of the Water–Gas Shift Reaction on Cobalt@Gold Core–Shell Nanocluster

S. Jang, Feng-Yin Li, R. Lin, 2014 .

Can a single water molecule catalyze the OH+CH2CH2 and OH+CH2O reactions?

S. Jang, M. Ali, B. M, 2019, Atmospheric Environment.

Docking study of the precursor peptide of matoparan onto its putative processing enzyme, dipeptidyl peptidase IV: a revisit to molecular ticketing

Soonmin Jang, Feng-Yin Li, Jungho Shin, 2010, J. Comput. Aided Mol. Des..

The Structural Study of Copper-binding Peptides: Implication in the Aggregation of Amyloid-β Peptides

S. Jang, R. Lin, F. Mai, 2013 .

Crystal structure of the TNF-alpha-Inducing protein (Tipalpha) from Helicobacter pylori: Insights into Its DNA-binding activity.

S. Jang, J. Yoon, S. Suh, 2009, Journal of molecular biology.

Non-functionalized soluble diketopyrrolopyrrole: Simplest p-channel core for organic field-effect transistors

Seung-Un Park, Soonmin Jang, Tae Joo Shin, 2013 .

Computational Study on Oligomer Formation of Fibril-forming Peptide of α-Synuclein

Seokmin Shin, S. Jang, Jeseong Yoon, 2012 .

Molecular dynamics study with mutation shows that N‐terminal domain structural re‐orientation in Niemann‐Pick type C1 is required for proper alignment of cholesterol transport

S. Jang, H. Yoon, H. Lee, 2020, Journal of neurochemistry.

Investigation on critical structural motifs of ligands for triggering glucocorticoid receptor nuclear migration through molecular docking simulations

Soonmin Jang, Feng-Yin Li, S. Jang, 2016, Journal of biomolecular structure & dynamics.

On the classical theory of the rate of isomerization of HCN

S. Rice, S. Jang, Meishan Zhao, 1994 .

Geometric effects on conductance in single molecule electron transport junctions

S. Jang, Honghao Tang, Feng-Yin Li, 2009 .

Detection of benzalkonium chloride on glass surfaces using silver nanoparticles

N. Ly, S. Jang, S. Son, 2021, Bulletin of the Korean Chemical Society.

Abnormal adsorption behavior of dimethyl disulfide on gold surfaces

Seokmin Shin, S. Jang, S. Joo, 2007 .

Folding Dynamics of β-Hairpins: Molecular Dynamics Simulations

Jinhyuk Lee, Seokmin Shin, S. Jang, 2003 .

Direct folding simulation of α‐helices and β‐hairpins based on a single all‐atom force field with an implicit solvation model

Soonmin Jang, S. Jang, Youngshang Pak, 2006 .

Ab initio folding of helix bundle proteins using molecular dynamics simulations.

Soonmin Jang, Seokmin Shin, Seokmin Shin, 2003, Journal of the American Chemical Society.

Molecular Dynamics Study of Peptides in Implicit Water: Ab Initio Folding of β-Hairpin, β-Sheet, and ββα-motif

Soonmin Jang, Seokmin Shin, Seokmin Shin, 2002 .

Graphene epoxy spray on 3D-printed acrylonitrile butadiene styrene substrates as O2 gas barrier

S. Jang, S. Joo, N. Tran, 2019 .

Phase Transition of Confined Gold Nanoparticles: Replica Exchange Molecular Dynamics Study †

S. Jang, Feng‐Yin Li, Hyun Sik Kim, 2012 .

Equilibrium structures of water molecules confined within a multiply connected carbon nanotube: a molecular dynamics study.

S. Jang, Gunn Kim, G. Kim, 2018, Physical chemistry chemical physics : PCCP.

The role of the acidic domain of α-synuclein in amyloid fibril formation: a molecular dynamics study

Seokmin Shin, S. Jang, Jeseong Yoon, 2016, Journal of biomolecular structure & dynamics.

Crystal structures of Uso1 membrane tether reveal an alternative conformation in the globular head domain

S. Jang, H. Yoon, H. Lee, 2020, Scientific Reports.

Quantum molecular dynamics and spectral simulation of a boron impurity in solid para-hydrogen

G. Voth, S. Jang, M. Alexander, 2000 .

Centroid molecular dynamics: A quantum dynamics method suitable for the parallel computer

Soonmin Jang, Gregory A. Voth, Marc Pavese, 2000, Parallel Comput..

Semiclassical quantum unimolecular reaction rate theory revisited

S. Rice, S. Jang, Meishan Zhao, 1998 .

Multicanonical ensemble with Nosé–Hoover molecular dynamics simulation

Soonmin Jang, Seokmin Shin, Seokmin Shin, 2002 .

Direct folding simulation of alpha-helices and beta-hairpins based on a single all-atom force field with an implicit solvation model.

S. Jang, Youngshang Pak, Eunae Kim, 2007, Proteins.

Computational Study of Human Calcitonin (hCT) Oligomer

S. Jang, Youngshang Pak, Jungho Shin, 2009 .

Surface-dependent gas equilibrium of semi-volatile organic compounds on glass, wood, and polyurethane foam using SPME-GC/MS.

S. Jang, S. Joo, K. Zoh, 2021, Chemosphere.

Simulation Studies on the Stabilities of Aggregates Formed by Fibril-Forming Segments of α-Synuclein

Seokmin Shin, S. Jang, Jeseong Yoon, 2009, Journal of biomolecular structure & dynamics.

Structural Properties of Fibril-forming Segments of α-Synuclein

Seokmin Shin, S. Jang, Jeseong Yoon, 2009 .

Dimerization of Fibril-forming Segments of α-Synuclein

Seokmin Shin, S. Jang, Jeseong Yoon, 2009 .

Intramolecular energy transfer in the isomerization of cyclobutanone

S. Rice, S. Jang, M. Zhao, 1998 .

Strategies for the modification of adhesion at graphene/Al Interfaces: a first principles study.

S. Jang, Hyobin Nam, Woong Leel, 2014, Journal of nanoscience and nanotechnology.

Consistent free energy landscapes and thermodynamic properties of small proteins based on a single all-atom force field employing an implicit solvation.

S. Jang, Youngshang Pak, Eunae Kim, 2007, The Journal of chemical physics.

Misfolded free energy surface of a peptide with αββ motif (1PSV) using the generalized Born solvation model

S. Jang, Youngshang Pak, Eunae Kim, 2004 .

Variation of reaction dynamics for OH hydrogen abstraction from glycine between ab initio levels of theory

S. Jang, R. Lin, Chen-Chang Wu, 2010, Journal of molecular modeling.

Signature of N-terminal domain (NTD) structural re-orientation in NPC1 for proper alignment of cholesterol transport: Molecular dynamics study with mutation

S. Jang, H. Yoon, H. Lee, 2020, bioRxiv.

Site specificity on OH α-H abstraction reaction for a zwitterionic β-hairpin peptide in aqueous solution: a theoretical investigation.

S. Jang, Hyunsik Kim, R. Lin, 2013, The journal of physical chemistry. B.

Site specificity of OH α‐H abstraction reaction for a β‐hairpin peptide: An ab initio study

Chen-Chang Wu, Ya-Ling Liu, Soonmin Jang, 2011, J. Comput. Chem..

Dual facilitated transport of CO2 using electrospun composite membranes containing Ionic liquid

S. Jang, Y. Kang, J. Won, 2015 .

A simple method of estimating sampling consistency based on free energy map distance.

Won-Joon Son, Soonmin Jang, Seokmin Shin, 2008, Journal of molecular graphics & modelling.

Site specificity of the αCH bond dissociation energy for a naturally occurring β‐hairpin peptide—An ab initio study

Chen-Chang Wu, Soonmin Jang, Wan-Chun Cheng, 2009, J. Comput. Chem..

Amyloid β-Peptide Oligomerization in Silico: Dimer and Trimer

Soonmin Jang, Seokmin Shin, Seokmin Shin, 2006 .

Equilibrium structures of water molecules confined within a multiply connected carbon nanotube: a molecular dynamics study.

S. Jang, Gunn Kim, G. Kim, 2019, Physical chemistry chemical physics : PCCP.

Free energy landscapes of a highly structured beta-hairpin peptide and its single mutant.

S. Jang, Youngshang Pak, Eunae Kim, 2008, The Journal of chemical physics.

Direct folding studies of various alpha and beta strands using replica exchange molecular dynamics simulation.

S. Jang, Youngshang Pak, Eunae Kim, 2008, The Journal of chemical physics.

On the Structural Stability of a Short Three Stranded β-sheet Peptide (Betanova): Replica Exchange Molecular Dynamics Simulation Study

S. Jang, Youngshang Pak, Eunae Kim, 2010 .

Free energy landscape of the FBP28 WW domain by all-atom direct folding simulation.

S. Jang, Youngshang Pak, M. Lim, 2010, The journal of physical chemistry. B.

Reaction path analysis of the rate of unimolecular isomerization

S. Rice, S. Jang, 1993 .

Computational Probing of Temperature-Dependent Unfolding of a Small Globular Protein: From Cold to Heat Denaturation.

S. Jang, Youngshang Pak, Changwon Yang, 2020, Journal of Chemical Theory and Computation.

A fully atomistic computer simulation study of cold denaturation of a β-hairpin

S. Jang, Youngshang Pak, Changwon Yang, 2014, Nature Communications.

Prediction of helical peptide folding in an implicit water by a new molecular dynamics scheme with generalized effective potential

Seokmin Shin, S. Jang, Youngshang Pak, 2002 .

Multiple stepwise pattern for potential of mean force in unfolding the thrombin binding aptamer in complex with Sr2+.

S. Jang, Youngshang Pak, Changwon Yang, 2011, The Journal of chemical physics.