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K

Kwangho Nam

university of texas at arlington

30H指数
95论文数
3.0K被引数
收录论文 48
发表时间
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Accelerating Quantum Mechanical/Molecular Mechanical (QM/MM) Simulations with Stochastic Iso-Kinetic Nosé–Hoover Multiple Time Step Integrator in CHARMM通过CHARMM中的随机等动能Nose–Hoover多时间步积分器加速量子力学/分子力学(QM/MM)模拟
errThe Journal of Physical Chemistry B
IF2.9
err2026-04-10
err0
errOAAI
errKwangho Nam; Yihan Shao
err分享
err收藏
Toward Improving Multiple Time Step QM/MM Simulations with Δ-Machine Learning迈向利用Δ-机器学习改进多时间步长QM/MM模拟
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-09-01
err0
PREAI
errOsadchey, Reilly; Nam, Kwangho; Cui, Qiang
err分享
err收藏
Template-Based Docking Using Automated Maximum Common Substructure Identification with EnzyDock: Mechanistic and Inhibitor Docking基于模板的对接：使用EnzyDock进行自动最大公共结构识别的机制与抑制剂对接
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-05-19
err0
PREAI
errSchwartz, Renana; Hadar-Volk, Amit; Nam, Kwangho
err分享
err收藏
Machine Learning Quantum Mechanical/Molecular Mechanical Potentials: Evaluating Transferability in Dihydrofolate Reductase-Catalyzed Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-15
err0
PREAI
errThodika, Abdul Raafik Arattu; Pan, Xiaoliang; Shao, Yihan; Nam, Kwangho
err分享
err收藏
Cooperative folding as a molecular switch in an evolved antibody binder
errJOURNAL OF BIOLOGICAL CHEMISTRY
IF3.9
err2024-11-01
err0
errOAAI
errJonsson, Malin; Ul Mushtaq, Ameeq; Nagy, Tamas Milan; von Witting, Emma; Lofblom, John; Nam, Kwangho; Wolf-Watz, Magnus; Hober, Sophia
err分享
err收藏
Magnesium induced structural reorganization in the active site of adenylate kinase
errSCIENCE ADVANCES
IF12.5
err2024-08-09
err1
errOAAI
errNam, Kwangho; Thodika, Abdul Raafik Arattu; Tischlik, Sonja; Phoeurk, Chanrith; Nagy, Tamas Milan; Schierholz, Leon; Aden, Jorgen; Rogne, Per; Drescher, Malte; Sauer-Eriksson, A. Elisabeth; Wolf-Watz, Magnus
err分享
err收藏
CHARMM-GUI QM/MM Interfacer for a Quantum Mechanical and Molecular Mechanical (QM/MM) Simulation Setup: 1. Semiempirical Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-10
err4
errOAAI
errSuh, Donghyuk; Thodika, Abdul Raafik Arattu; Kim, Seonghoon; Nam, Kwangho; Im, Wonpil
err分享
err收藏
Perspectives on Computational Enzyme Modeling: From Mechanisms to Design and Drug Development
errACS OMEGA
IF4.3
err2024-02-08
err20
errOAAI
errNam, Kwangho; Shao, Yihan; Major, Dan T.; Wolf-Watz, Magnus
err分享
err收藏
Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-20
err4
errOAAI
errNam, Kwangho; Thodika, Abdul Raafik Arattu; Grundstrom, Christin; Sauer, Uwe H.; Wolf-Watz, Magnus
err分享
err收藏
Free Energy Profile Decomposition Analysis for QM/MM Simulations of Enzymatic Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-11-09
err5
PREAI
errPan, Xiaoliang; Van, Richard; Pu, Jingzhi; Nam, Kwangho; Mao, Yuezhi; Shao, Yihan
err分享
err收藏
Mechanistic Basis for a Connection between the Catalytic Step and Slow Opening Dynamics of Adenylate Kinase
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-02-21
err8
PREAI
errDulko-Smith, Beata; Ojeda-May, Pedro; Aden, Jorgen; Wolf-Watz, Magnus; Nam, Kwangho
err分享
err收藏
Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases
errSCIENCE ADVANCES
IF12.5
err2022-11-04
err7
errOAAI
errVerma, Apoorv; Aberg-Zingmark, Emma; Sparrman, Tobias; Mushtaq, Ameeq Ul; Rogne, Per; Grundstrom, Christin; Berntsson, Ronnie; Sauer, Uwe H.; Backman, Lars; Nam, Kwangho; Sauer-Eriksson, Elisabeth; Wolf-Watz, Magnus
err分享
err收藏
Self-assembling Peptides with Internal Ionizable Unnatural Amino Acids: A General Approach to pH-responsive Peptide Materials
errCHEMISTRY-AN ASIAN JOURNAL
IF3.3
err2022-09-01
err5
PREAI
errAsokan-Sheeja, Haritha; Yang, Su; Adones, Ashley A.; Chen, Weike; Fulton, Brandon B.; Chintapula, Uday K.; Nguyen, Kytai T.; Lovely, Carl J.; Brautigam, Chad A.; Nam, Kwangho; Dong, He
err分享
err收藏
Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-09-01
err79
errOAAI
errPan, Xiaoliang; Yang, Junjie; Van, Richard; Epifanovsky, Evgeny; Ho, Junming; Huang, Jing; Pu, Jingzhi; Mei, Ye; Nam, Kwangho; Shao, Yihan
err分享
err收藏
A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-13
err24
errOAAI
errPan, Xiaoliang; Nam, Kwangho; Epifanovsky, Evgeny; Simmonett, Andrew C.; Rosta, Edina; Shao, Yihan
err分享
err收藏
Copper(i) and silver(i) chemistry of vinyltrifluoroborate supported by a bis(pyrazolyl)methane ligand
errDALTON TRANSACTIONS
IF3.3
err2021-01-01
err2
errOAAI
errZacharias, Adway O.; Mao, James X.; Nam, Kwangho; Dias, H. V. Rasika
err分享
err收藏
Rhizolutin, a Novel 7/10/6-Tricyclic Dilactone, Dissociates Misfolded Protein Aggregates and Reduces Apoptosis/Inflammation Associated with Alzheimer's Disease
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2020-10-04
err18
PREAI
errKwon, Yun; Shin, Jisu; Nam, Kwangho; An, Joon Soo; Yang, Seung-Hoon; Hong, Seong-Heon; Bae, Munhyung; Moon, Kyuho; Cho, Yakdol; Woo, Jiwan; Park, Keunwan; Kim, Kyeonghwan; Shin, Jongheon; Kim, Byung-Yong; Kim, YoungSoo; Oh, Dong-Chan
err分享
err收藏
The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase
errNATURE COMMUNICATIONS
IF15.7
err2020-09-07
err25
errOAAI
errShigdel, Uddhav K.; Ovchinnikov, Victor; Lee, Seung-Joo; Shih, Jenny A.; Karplus, Martin; Nam, Kwangho; Verdine, Gregory L.
err分享
err收藏
Development of Noonan syndrome by deregulation of allosteric SOS autoactivation
errJOURNAL OF BIOLOGICAL CHEMISTRY
IF3.9
err2020-09-01
err6
errOAAI
errUmutesi, Hope Gloria; Hoang, Hanh My; Johnson, Hope Elizabeth; Nam, Kwangho; Heo, Jongyun
err分享
err收藏
Repulsive Soft-Core Potentials for Efficient Alchemical Free Energy Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-06-19
err15
errOAAI
errLi, Yaozong; Nam, Kwangho
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
M
Martin Karplus
H 指数: 167 · 论文数: 981
N
Norbert Perrimon
H 指数: 154 · 论文数: 868
J
Jiali Gao
H 指数: 82 · 论文数: 429
Q
Qiang Cui
H 指数: 81 · 论文数: 766
G
Gregory L. Verdine
H 指数: 78 · 论文数: 318
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