Youngshang Pak

发表

Replica-exchange method using the generalized effective potential.

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

Reactive Flux Calculations of Methyl Vinyl Ketone Reacting with Cyclopentadiene in Water

G. Voth, Youngshang Pak, 1999 .

Probing α/β Balances in Modified Amber Force Fields from a Molecular Dynamics Study on a ββα Model Protein (1FSD)

Youngshang Pak, Eunae Kim, Changwon Yang, 2014 .

In silico direct folding of thrombin-binding aptamer G-quadruplex at all-atom level

Manho Lim, Mandar Kulkarni, Youngshang Pak, 2017, Nucleic acids research.

Structural Basis of Binding of High-Affinity Ligands to Protein Kinase C: Prediction of the Binding Modes Through a New Molecular Dynamics Method and Evaluation by Site-Directed Mutagenesis.

Youngshang Pak, I. Enyedy, Shaomeng Wang, 2001 .

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.

Anharmonic force fields and spectroscopic properties of BF3 and CF3+ using the coupled cluster method

Youngshang Pak, R. Woods, 1997 .

Folding simulations with novel conformational search method.

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

Antigen shedding may improve efficiencies for delivery of antibody-based anticancer agents in solid tumors.

I. Pastan, Youngshang Pak, Byungkook Lee, 2012, Cancer research.

Inversion Barriers of Methylsilole and Methylgermole Monoanions

Youngshang Pak, H. Sohn, Y. Ko, 2012 .

Potential of Mean Force Simulation by Pulling a DNA Aptamer in Complex with Thrombin

Youngshang Pak, Eunae Kim, Changwon Yang, 2012 .

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 .

Coupled cluster spectroscopic properties and isomerization pathway for the cyanate/fulminate isomer pair, NCO−/CNO−

Youngshang Pak, K. Peterson, R. Woods, 1997 .

Functional HSF1 requires aromatic-participant interactions in protecting mouse embryonic fibroblasts against apoptosis via G2 cell cycle arrest

Sung-Min Park, Youngshang Pak, H. Kang, 2012, Molecules and cells.

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

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

Relationship between the ratio of ligand to metal and the coordinating ability of anions. Synthesis and structural properties of AgX-bearing bis(4-pyridyl)dimethylsilane (X- = NO2-, NO3-, CF3SO3-, and PF6-).

Youngshang Pak, O. Jung, Eun Ae Kim, 2005, Inorganic chemistry.

Improving All-Atom Force Field to Accurately Describe DNA G-Quadruplex Loops.

Youngshang Pak, Hyeonjun Kim, 2022, The journal of physical chemistry. B.

Spectroscopic constants and potential energy functions of OCCl+, ONP, ONS+,ArCN+, OCS, and NCCl using the coupled cluster method

Youngshang Pak, R. Woods, 1997 .

A coupled cluster study of the structures, spectroscopic properties, and isomerization path of NCS− and CNS−

Youngshang Pak, K. Peterson, R. Woods, 1995 .

Free-Energy Landscape of a Thrombin-Binding DNA Aptamer in Aqueous Environment.

Youngshang Pak, Eunae Kim, Changwon Yang, 2012, Journal of chemical theory and computation.

Predicting RNA Structures via a Simple van der Waals Correction to an All-Atom Force Field.

Manho Lim, Youngshang Pak, M. Lim, 2017, Journal of chemical theory and computation.

Free energy landscape and transition pathways from Watson–Crick to Hoogsteen base pairing in free duplex DNA

Youngshang Pak, Eunae Kim, Changwon Yang, 2015, Nucleic acids research.

Rebinding dynamics of NO to microperoxidase-8 probed by time-resolved vibrational spectroscopy.

Youngshang Pak, M. Lim, Hyojoon Kim, 2016, Physical chemistry chemical physics : PCCP.

Coupled cluster anharmonic force fields, spectroscopic constants, and vibrational energies of AIF3 and SiF3+

Youngshang Pak, E. Sibert, R. Woods, 1997 .

A coupled cluster study of the spectroscopic properties and electric dipole moment functions of nitrous sulfide

Youngshang Pak, K. Peterson, R. Woods, 1996 .

Coupled cluster calculations of the potential energy surfaces and spectroscopic constants of SiF2, P

Youngshang Pak, R. Woods, 1996 .

Coupled cluster prediction of vibrational band intensities for SiF2 and PF2

Youngshang Pak, K. Peterson, R. Woods, 1997 .

Mechanism of intramolecular C–H bond activation in [(LCu)2(μ-O)2]2+ (L=1,4,7-trialkyl-1,4,7-triazacyclononane): quantum mechanical/molecular mechanical modeling

Youngshang Pak, C. Cramer, C. Kinsinger, 2003 .

Effect of Antigen Shedding on Targeted Delivery of Immunotoxins in Solid Tumors from a Mathematical Model

I. Pastan, Youngshang Pak, Byungkook Lee, 2014, PloS one.

Conformer-Specific Photodissociation Dynamics of CF2ICF2I in Solution Probed by Time-Resolved Infrared Spectroscopy.

Youngshang Pak, M. Lim, Taegon Lee, 2020, The journal of physical chemistry. B.

Folding Dynamics of β-Hairpins: Molecular Dynamics Simulations

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

Functional HSF 1 Requires Aromatic-Participant Interactions in Protecting Mouse Embryonic Fibroblasts against Apoptosis Via G 2 Cell Cycle Arrest

Sung-Min Park, Youngshang Pak, H. Kang, 2022 .

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 .

Dynamics of geminate rebinding of CO to cytochrome c in guanidine HCl probed by femtosecond vibrational spectroscopy.

Youngshang Pak, M. Lim, Jaeheung Park, 2013, The journal of physical chemistry. B.

Application of a Molecular Dynamics Simulation Method with a Generalized Effective Potential to the Flexible Molecular Docking Problems

Youngshang Pak, Shaomeng Wang, Shaomeng Wang, 2000 .

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 .

Computational study of the pK a values of a modified G·C base pair in duplex DNA

Youngshang Pak, Hyeonjun Kim, 2021, Bulletin of the Korean Chemical Society.

Balancing All‐Atom Force Field for DNA Simulations Using Osmotic Pressure Data

Youngshang Pak, Hyeonjun Kim, 2020 .

Computational Probing of Watson-Crick/Hoogsteen Breathing in a DNA Duplex Containing N1-Methylated Adenine.

Youngshang Pak, M. Lim, Eunae Kim, 2018, Journal of chemical theory and computation.

Refined Alkali Metal Ion Parameters for the OPC Water Model

Youngshang Pak, Changwon Yang, Mandar Kulkarni, 2018, Bulletin of the Korean Chemical Society.

Studies of the initial oxidation of Fe-Si alloys by AES, XPS, EELS, and LEED

Youngshang Pak, 1988 .

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 .

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.

Canonical Sampling Method for Initial Conditions for Reactive Flux Calculations Using Nosé-Hoover Chains

Youngshang Pak, S. Lee, 2004 .

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.

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.

Improving Temperature Generator in Parallel Tempering Simulation in the NPT condition.

Youngshang Pak, Changwon Yang, Hyeonjun Kim, 2020, Journal of chemical theory and computation.

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.

Three-State Diffusion Model of DNA Glycosylase Translocation along Stretched DNA as Revealed by Free Energy Landscapes at the All-Atom Level.

Youngshang Pak, Hyeonjun Kim, 2024, Journal of chemical theory and computation.

Antigen shedding may improve efficiencies for delivery of antibody-based anticancer agents in solid tumors.

I. Pastan, Youngshang Pak, Byungkook Lee, 2012, Cancer research.

Transition state for intramolecular C–H bond cleavage in [(LCu)2(μ-O)2]2+ (L = 1,4,7-tribenzyl-1,4,7-triazacyclononane)

Youngshang Pak, C. Cramer, 2001 .

Large tunneling effect on the hydrogen transfer in bis(μ-oxo)dicopper enzyme: a theoretical study.

Kisoo Park, Youngshang Pak, Yongho Kim, 2012, Journal of the American Chemical Society.

Quantum Dynamical Simulation of the Energy Relaxation Rate of the CN- Ion in Water

G. Voth, S. Jang, Youngshang Pak, 1999 .

Computational Probing of the Folding Mechanism of Human Telomeric G-Quadruplex DNA

Youngshang Pak, Eunae Kim, Hyeonjun Kim, 2023, J. Chem. Inf. Model..