Seung-gu Kang  Seung-gu Kang photo         

contact information

Research Staff Member
Thomas J. Watson Research Center, Yorktown Heights, NY USA
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Professional Associations

Professional Associations:  American Chemical Society


2020

CASTELO: Clustered Atom Subtypes aidEd Lead Optimization--a combined machine learning and molecular modeling method
Leili Zhang, Giacomo Domeniconi, Chih-Chieh Yang, Seung-gu Kang, Ruhong Zhou, Guojing Cong
arXiv preprint arXiv:2011.13788, 2020

Structural cavities are critical to balancing stability and activity of a membrane-integral enzyme
Ruiqiong Guo, Zixuan Cang, Jiaqi Yao, Miyeon Kim, Erin Deans, Guowei Wei, Seung-gu Kang*, Heedeok Hong*
Proceedings of the National Academy of Sciences, National Academy of Sciences, 2020


2019

Modeling and Structural Characterization of the Sweet Taste Receptor Heterodimer
Jose Manuel Perez-Aguilar, Seung-gu Kang, Leili Zhang, Ruhong Zhou
ACS Chemical Neuroscience 10(11), 4579--4592, American Chemical Society, 2019


2018

Role of packing defects in the stability and function of an integral membrane protein
Ruiqiong Guo, Seung-Gu Kang, Zixuan Cang, Erin Deans, Guowei Weiand Heedeok Hong
INVESTIGATION OF FOLDING, STABILITY AND FUNCTION OF D-HELICAL MEMBRANE PROTEINS UNDER NATIVE CONDITIONS, 81, Michigan State University, 2018

Molecular Mechanism of Phosphoinositides’ Specificity for the Inwardly Rectifying Potassium Channel Kir2. 2
Xuan-Yu Meng†, Seung-gu Kang†, Ruhong Zhou
Chemical Science, Royal Society of Chemistry, 2018

Rare Dissipative Transitions Punctuate the Initiation of Chemical Denaturation in Proteins
Jeffrey K Weber, Seung-gu Kang, Ruhong Zhou
Biophysical journal 114(4), 812--821, Cell Press, 2018

Charging Nanoparticles: Increased Binding of Gd@ C82 (OH) 22 Derivatives to Human MMP-9
Szu-Hua Chen†, Seung-gu Kang†, Judong Luo, Ruhong Zhou
Nanoscale, Royal Society of Chemistry, 2018

T cell receptors for the HIV KK10 epitope from patients with differential immunologic control are functionally indistinguishable
Alok V Joglekar, Zhe Liu, Jeffrey K Weber, Yong Ouyang, John D Jeppson, Won Jun Noh, Pedro A Lamothe-Molina, Huabiao Chen, Seung-gu Kang, Michael T Bethune, others
Proceedings of the National Academy of Sciences 115(8), 1877--1882, National Academy of Sciences, 2018

Concentration-dependent binding of CdSe quantum dots on the SH3 domain
David R Bell†, Seung-gu Kang†, Tien Huynh, Ruhong Zhou
Nanoscale 10(1), 351--358, Royal Society of Chemistry, 2018

Molecular mechanism of Gd@ C82 (OH) 22 increasing collagen expression: Implication for encaging tumor
Jing Liu†, Seung-gu Kang†, Peng Wang, Yue Wang, Xiaonan Lv, Ying Liu, Fei Wang, Zonglin Gu, Zaixing Yang, Jeffrey K Weber, others
Biomaterials152, 24--36, Elsevier, 2018


2016

Robust denaturation of villin headpiece by MoS 2 nanosheet: Potential molecular origin of the nanotoxicity
Zonglin Gu, Zaixing Yang, Seung-gu Kang, Jerry R Yang, Judong Luo, Ruhong Zhou
Scientific reports6, 28252, Nature Publishing Group, 2016

Structural damage of a $\beta$-sheet protein upon adsorption onto molybdenum disulfide nanotubes
Yang Ling, Zonglin Gu, Seung-gu Kang, Judong Luo, Ruhong Zhou
The Journal of Physical Chemistry C 120(12), 6796--6803, American Chemical Society, 2016

Toward high permeability, selectivity and controllability of water desalination with FePc nanopores
Qingming Deng, Jun Pan, Xiaohui Yin, Xiaofeng Wang, Lina Zhao, Seung-gu Kang, Camilo A Jimenez-Cruz, Ruhong Zhou, Jingyuan Li
Physical Chemistry Chemical Physics 18(11), 8140--8147, Royal Society of Chemistry, 2016


2015

Selection of an HLA-C* 03: 04-restricted HIV-1 p24 gag sequence variant is associated with viral escape from KIR2DL3+ natural killer cells: data from an observational cohort in South Africa
Angelique H\"olzemer, Christina F Thobakgale, Camilo A Jimenez Cruz, Wilfredo F Garcia-Beltran, Jonathan M Carlson, Nienke H van Teijlingen, Jaclyn K Mann, Manjeetha Jaggernath, Seung-gu Kang, Christian K\"orner, others
PLoS medicine 12(11), e1001900, Public Library of Science San Francisco, CA USA, 2015

Protein corona mitigates the cytotoxicity of graphene oxide by reducing its physical interaction with cell membrane
Guangxin Duan†, Seung-gu Kang†, Xin Tian, Jose Antonio Garate, Lin Zhao, Cuicui Ge, Ruhong Zhou
Nanoscale 7(37), 15214--15224, Royal Society of Chemistry, 2015

Gd--metallofullerenol nanomaterial suppresses pancreatic cancer metastasis by inhibiting the interaction of histone deacetylase 1 and metastasis-associated protein 1
Yuanming Pan, Liming Wang, Seung-gu Kang, Youyong Lu, Zaixing Yang, Tien Huynh, Chunying Chen, Ruhong Zhou, Mingzhou Guo, Yuliang Zhao
Acs Nano 9(7), 6826--6836, American Chemical Society, 2015

Hydrated excess protons can create their own water wires
Yuxing Peng, Jessica MJ Swanson, Seung-gu Kang, Ruhong Zhou, Gregory A Voth
The Journal of Physical Chemistry B 119(29), 9212--9218, American Chemical Society, 2015


2014

Interaction of amyloid inhibitor proteins with amyloid beta peptides: insight from molecular dynamics simulations
Payel Das, Seung-gu Kang, Sally Temple, Georges Belfort
PLoS One 9(11), e113041, Public Library of Science, 2014

Structural and electronic properties of uranium-encapsulated Au 14 cage
Yang Gao, Xing Dai, Seung-gu Kang, Camilo Andres Jimenez-Cruz, Minsi Xin, Yan Meng, Jie Han, Zhigang Wang, Ruhong Zhou
Scientific reports4, 5862, Nature Publishing Group, 2014

The complex and specific pMHC interactions with diverse HIV-1 TCR clonotypes reveal a structural basis for alterations in CTL function
Zhen Xia, Huabiao Chen, Seung-gu Kang, Tien Huynh, Justin W Fang, Pedro A Lamothe, Bruce D Walker, Ruhong Zhou
Scientific reports4, 4087, Nature Publishing Group, 2014

Protein and nanoparticle interactions: Perspectives of nanomedicine and nanotoxicity
Seung-gu Kang, Ruhong Zhou
Molecular Modeling at the Atomic Scale: Methods and Applications in Quantitative Biology, pp. 277, CRC Press, 2014

Large scale molecular simulations of nanotoxicity
Camilo A Jimenez-Cruz, Seung-gu Kang, Ruhong Zhou
Wiley Interdisciplinary Reviews: Systems Biology and Medicine, Wiley Online Library, 2014


Characterization of a Novel Water Pocket Inside the Human Cx26 Hemichannel Structure
Raul Araya-Secchi, Tomas Perez-Acle, Seung-gu Kang, Tien Huynh, Alejandro Bernardin, Yerko Escalona, Jose-Antonio Garate, Agustin D Mart\'\inez, Isaac E Garc\'\ia, Juan C S\'aez, others
Biophysical journal 107(3), 599--612, Elsevier, 2014

Size-dependent impact of CNTs on dynamic properties of calmodulin
Jian Gao, Liming Wang, Seung-gu Kang, Lina Zhao, Mingjuan Ji, Chunying Chen, Yuliang Zhao, Ruhong Zhou, Jingyuan Li
Nanoscale 6(21), 12828--12837, Royal Society of Chemistry, 2014

Effect of Ligands on Characteristics of (CdSe) 13 Quantum Dot
Yang Gao, Bo Zhou, Seung-gu Kang, Minsi Xin, Ping Yang, Xing Dai, Zhigang Wang, Ruhong Zhou
RSC Adv., The Royal Society of Chemistry, 2014

Dual Inhibitory Pathways of Metallofullerenol Gd@ C82 (OH) 22 on Matrix Metalloproteinase-2: Molecular insight into drug-like nanomedicine
Seung-gu Kang, Raul Araya-Secchi, Deqiang Wang, Bo Wang, Tien Huynh, Ruhong Zhou
Scientific reports4, Nature Publishing Group, 2014

The complex and specific pMHC interactions with diverse HIV-1 TCR clonotypes reveal a structural basis for alterations in CTL function
Zhen Xia, Huabiao Chen, Seung-gu Kang, Tien Huynh, Justin W Fang, Pedro A Lamothe, Bruce D Walker, Ruhong Zhou
Scientific reports4, Nature Publishing Group, 2014

Nanomedicine: de novo design of nanodrugs
Zaixing Yang+, Seung-gu Kang+, Ruhong Zhou
Nanoscale 6(2), 663--677, Royal Society of Chemistry, 2014
+Equal contribution

How force unfolding differs from chemical denaturation
Guillaume Stirnemann, Seung-gu Kang, Ruhong Zhou, Bruce J Berne
Proceedings of the National Academy of Sciences 111(9), 3413--3418, National Acad Sciences, 2014


2013

Structural and electronic properties of uranium-encapsulated Au14 cage
Yang Gao, Xing Dai, Seung-gu Kang, Camilo Andres Jimenez Cruz, Minsi Xin, Yan Meng, Jie Han, Zhigang Wang, Ruhong Zhou
arXiv preprint arXiv:1312.7083, 2013

Salts drive controllable multilayered upright assembly of amyloid-like peptides at mica/water interface
Bin Dai+, Seung-gu Kang+, Tien Huynh, Haozhi Lei, Matteo Castelli, Jun Hu, Yi Zhang, Ruhong Zhou
Proceedings of the National Academy of Sciences 110(21), 8543--8548, National Acad Sciences, 2013
+Equal contribution

Hydrophobic interaction drives surface-assisted epitaxial assembly of amyloid-like peptides
Seung-gu Kang, Tien Huynh, Zhen Xia, Yi Zhang, Haiping Fang, Guanghong Wei, Ruhong Zhou
Journal of the American Chemical Society 135(8), 3150--3157, ACS Publications, 2013

Impacts of fullerene derivatives on regulating the structure and assembly of collagen molecules
Xiaohui Yin, Lina Zhao, Seung-gu Kang, Jun Pan, Yan Song, Mingyi Zhang, Gengmei Xing, Fei Wang, Jingyuan Li, Ruhong Zhou, others
Nanoscale 5(16), 7341--7348, Royal Society of Chemistry, 2013

Metallofullerenol Gd@ C 82 (OH) 22 distracts the proline-rich-motif from putative binding on the SH3 domain
Seung-gu Kang, Tien Huynh, Ruhong Zhou
Nanoscale 5(7), 2703--2712, Royal Society of Chemistry, 2013

Interactions Between Proteins and Carbon-Based Nanoparticles: Exploring the Origin of Nanotoxicity at the Molecular Level
Guanghong Zuo, Seung-gu Kang, Peng Xiu, Yuliang Zhao, Ruhong Zhou
Small 9(9-10), 1546--1556, Wiley Online Library, 2013


2012

Computational design of a protein crystal
Christopher J Lanci+, Christopher M MacDermaid+, Seung-gu Kang, Rudresh Acharya, Benjamin North, Xi Yang, X Jade Qiu, William F DeGrado, Jeffery G Saven
Proceedings of the National Academy of Sciences 109(19), 7304--7309, National Acad Sciences, 2012
+Equal contribution


Molecular mechanism of surface-assisted epitaxial self-assembly of amyloid-like peptides
Seung-gu Kang, Hai Li, Tien Huynh, Fuchun Zhang, Zhen Xia, Yi Zhang, Ruhong Zhou
ACS nano 6(10), 9276--9282, ACS Publications, 2012


Molecular mechanism of pancreatic tumor metastasis inhibition by Gd@ C82 (OH) 22 and its implication for de novo design of nanomedicine
Seung-gu Kang, Guoqiang Zhou, Ping Yang, Ying Liu, Baoyun Sun, Tien Huynh, Huan Meng, Lina Zhao, Gengmei Xing, Chunying Chen, others
Proceedings of the National Academy of Sciences 109(38), 15431--15436, National Acad Sciences, 2012


2010

Highly tunable photoluminescent properties of amphiphilic conjugated block copolymers
Sang-Jae Park, Seung-Gu Kang, Michael Fryd, Jeffery G Saven, So-Jung Park
Journal of the American Chemical Society 132(29), 9931--9933, ACS Publications, 2010


2009

Characterization of the cofactor-induced folding mechanism of a zinc-binding peptide using computationally designed mutants
Jia Tang+, Seung-Gu Kang+, Jeffery G Saven, Feng Gai
Journal of molecular biology 389(1), 90--102, Elsevier, 2009
+Equal contribution


2008

Protein Design: Tailoring Sequence, Structure, and Folding Properties
Andreas Lehmann, Christopher J Lanci, THOMAS J PETTY II, Seung-gu Kang, Jeffery G Saven
Protein folding, misfolding and aggregation: classical themes and novel approaches. Royal Society of Chemistry Biomolecular Sciences, pp. 188--213, 2008

Directing Noble Metal Ion Chemistry within a Designed Ferritin Protein
Christopher A Butts, Joe Swift, Seung-gu Kang, Luigi Di Costanzo, David W Christianson, Jeffery G Saven, Ivan J Dmochowski
Biochemistry 47(48), 12729--12739, ACS Publications, 2008


2007

Computational protein design: structure, function and combinatorial diversity
Seung-gu Kang, Jeffery G Saven
Current opinion in chemical biology 11(3), 329--334, Elsevier, 2007


2000

Electronic energy dynamics of photoexcited ternary Zintl phase LiSbTe2 and the distance estimation between trap sites
Seung-Gu Kang, Weon-Sik Chae, Yong-Rok Kim, Jin-Seung Jung, Sung-Han Lee
Chemical Physics 256(3), 295--305, Elsevier, 2000




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Technical Areas