Sungwoo Park
Pohang University of Science and Technology · Physics and Astronomy
About the Lab
Professor Sungwoo Park's research lab specializes in computational and theoretical chemistry, with a strong focus on protein folding mechanisms and enzyme catalysis, particularly involving protein disulfide isomerases and their roles in cellular protein homeostasis. The lab also advances computational methods in materials science and machine learning, including the development of novel generative models such as Sphere GAN for stable and accurate image generation. Additionally, the lab contributes to the design of probabilistic programming languages and parallel computing algorithms, emphasizing expressive power and efficiency in high-performance computing environments. These interdisciplinary efforts bridge biochemistry, computational chemistry, and computer science to solve complex problems in molecular systems and data-intensive computing.
Research Overview
Research Output Trend
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Selected Papers
15Protein disulfide isomerases (PDIs) aid protein folding and assembly by catalyzing formation and shuffling of cysteine disulfide bonds in the endoplasmic reticulum (ER). Many members of the PDI family are expressed in mammals, but the roles of specific PDIs in vivo are poorly understood. A recent homology-based search for additional PDI family members identified anterior gradient homolog 2 (AGR2), a protein originally presumed to be secreted by intestinal epithelial cells. Here, we show that AGR
A complete switch in the Cp*Ir(III)-catalyzed paths between C-H olefination and hydroarylation was found to be crucially dependent on the type of directing groups. This dichotomy in product distribution was correlated to the efficiency in attaining syn-coplanarity of olefin-inserted 7-membered iridacycles. Theoretical studies support our hypothesis that the degree of flexibility of this key intermediate modulates the β-H elimination, which ultimately affords the observed chemoselectivity.
With the advent of multicore processors,it has become imperative to write parallel programs if one wishes to exploit the next generation of processors. This paper deals with skyline computation as a case study of parallelizing database operations on multicore architectures. We compare two parallel skyline algorithms: a parallel version of the branch-and-bound algorithm (BBS) and a new parallel algorithm based on skeletal parallel programming. Experimental results show despite its simple design,
As probabilistic computations play an increasing role in solving various problems, researchers have designed probabilistic languages which treat probability distributions as primitive datatypes. Most probabilistic languages, however, focus only on discrete distributions and have limited expressive power. This article presents a probabilistic language, called λ ○ , whose expressive power is beyond discrete distributions. Rich expressiveness of λ ○ is due to its use of sampling functions , that is
We propose sphere generative adversarial network (GAN), a novel integral probability metric (IPM)-based GAN. Sphere GAN uses the hypersphere to bound IPMs in the objective function. Thus, it can be trained stably. On the hypersphere, sphere GAN exploits the information of higher-order statistics of data using geometric moment matching, thereby providing more accurate results. In the paper, we mathematically prove the good properties of sphere GAN. In experiments, sphere GAN quantitatively and qu
Abstract Calculations are presented for the glycine–(H 2 O) cluster anion, with glycine in canonical or zwitterionic form. The zwitterionic anions are predicted to be considerably lower in energy than the canonical anions, and the latter forms are found to be prone to isomerization to the zwitterionic anions. Therefore, we predict that the zwitterionic anions would be observed predominantly in the gas phase at low temperature. In contrast, calculated stability of neutral glycine–(H 2 O) 3 cluste
SUMMARY The differential length changes of vertical members in a high‐rise building due to elastic, creep and shrinkage shortenings are of primary concern since the differential shortening of the vertical members causes unexpected damages on structural and nonstructural members. In contrast to researches on prediction methods for calculation of the amount of the shortenings, only few methods or algorithms of compensation of the differential column shortenings have been reported. In this paper, a
Nitrogen fixation is a great challenge in solving the food supply of mankind. However N2 activation is extremely hard. Up until recently, the investigated catalysts for N2 fixation were based on metallic reducing agents. They are generally not environment friendly. We designed organocatalysts (carbenes) for nitrogen fixation using density functional theory (DFT) and ab initio theory. The reactivity of the carbene catalysts is mainly related to the electrostatic properties of the side chains. We
We propose a novel integral probability metric-based generative adversarial network (GAN), called SphereGAN. In the proposed scheme, the distance between two probability distributions (i.e., true and fake distributions) is measured on a hypersphere. Given that its hypersphere-based objective function computes the upper bound of the distance as a half arc, SphereGAN can be stably trained and can achieve a high convergence rate. In sphereGAN, higher-order information of data is processed using mul
Repeat double-opposing Z-plasty is an effective and safe surgical strategy for the management of persistent velopharyngeal insufficiency, in patients who received a prior surgical intervention by double-opposing Z-plasty. This strategy allows speech improvement and reduces the risk of postoperative upper airway compromise.
BACKGROUND: Topical anesthetics, such as eutectic mixture of local anesthetics (EMLA) cream, can be applied to reduce pain before minor procedure. This trial evaluated EMLA as pretreatment for facial lacerations and compared pain, discomfort and overall satisfaction. METHODS: This trial included consecutive emergency department patients ≥16 years of age who presented with simple facial lacerations. At triage, lacerations were allotted to either the routine processing group or EMLA pretreatment g
Research Areas
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