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K

Kevin J. Naidoo

university of cape town

27H指数
118论文数
2.4K被引数
收录论文 43
发表时间
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Application Notes in JCIM: A Home for Data, Software, and Web-Based Services in Cheminformatics and Molecular Modeling
errJournal of Chemical Information and Modeling
IF5.3
err2026-09-14
err0
PREAI
errAriane Nunes Alves; Rommie E. Amaro; Yee Siew Choong; Zoe Cournia; Xiao He; Olexandr Isayev; Johannes Kirchmair; John Kitchin; Kevin J. Naidoo; Duc Nguyen; Giulia Palermo; Thereza A. Soares; Guo-Wei Wei; Tong Zhu; Kenneth M. Merz, Jr.
err分享
err收藏
Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry推动理论化学与计算化学中的可重复性和开放数据
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-23
err0
errOAAI
errRommie E. Amaro; Victor Batista; Jochen Blumberger; Yee Siew Choong; Clémence Corminboeuf; Zoe Cournia; Qiang Cui; Marco De Vivo; Francesco A. Evangelista; Yi Qin Gao; Debashree Ghosh; Xiao He; Olexandr Isayev; Syma Khalid; Johannes Kirchmair; John R. Kitchin; Haiyan Liu; Kevin J. Naidoo; Duc Nguyen; Ariane Nunes Alves; Giulia Palermo; Brett Savoie; Thereza A. Soares; Pratyush Tiwary; Guowei Wei; Xiao Zheng; Tong Zhu; Kenneth M. Merz Jr.; Laura Gagliardi
err分享
err收藏
An in vitro approach for simulating divergent Golgi O-glycosylation of tumor-associated MUC1 from normal MUC1体外模拟肿瘤相关MUC1与正常MUC1的差异高尔基O-糖基化的方法
errNature Communications
IF15.7
err2026-04-22
err0
errOAAI
errAbdullateef Nashed; Kyllen Dilsook; Tharindu Senapathi; Kevin J. Naidoo
err分享
err收藏
Integrated tumour-immune cell response modelling of luminal a breast cancer details malignant signalling and ST3Gal1 inhibitor-induced reversal
errGLYCOBIOLOGY
IF3.3
err2025-08-01
err0
errOAAI
errKaya, Hikmet Emre; Naidoo, Kevin J.
err分享
err收藏
Universal Glycosyltransferase Continuous Assay for Uniform Kinetics and Inhibition Database Development and Mechanistic Studies Illustrated on ST3GAL1, C1GALT1, and FUT1
errACS OMEGA
IF4.3
err2024-04-05
err0
errOAAI
errNashed, Abdullateef; Naidoo, Kevin J.
err分享
err收藏
Modeling Reactions from Chemical Theories to Machine Learning
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-11
err1
PREAI
errNaidoo, Kevin J.; Merz, Kenneth M.; Wei, Guo-Wei
err分享
err收藏
Guidelines for Reporting Molecular Dynamics Simulations in JCIM Publications
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-05-16
err14
PREAI
errSoares, Thereza A.; Cournia, Zoe; Naidoo, Kevin; Amaro, Rommie; Wahab, Habibah; Merz Jr, Kenneth M. M.
err分享
err收藏
Molecular mechanisms from reaction coordinate graph enabled multidimensional free energies illustrated on water dimer hydrogen bonding
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-08-22
err0
errOAAI
errBruce-Chwatt, Tomas; Naidoo, Kevin J.
err分享
err收藏
Multidimensional Free Energy and Accelerated Quantum Library Methods Provide a Gateway to Glycoenzyme Conformational, Electronic, and Reaction Mechanisms
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2021-11-02
err3
PREAI
errNaidoo, Kevin J.; Bruce-Chwatt, Tomas; Senapathi, Tharindu; Hillebrand, Malcolm
err分享
err收藏
Anisotropic numerical potentials for coarse-grained modeling from high-speed multidimensional lookup table and interpolation algorithms
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-02-06
err0
PREAI
errGangopadhyay, Ananya; Winberg, Simon; Naidoo, Kevin J.
err分享
err收藏
BRIDGE: An Open Platform for Reproducible High-Throughput Free Energy Simulations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-08-18
err11
errOAAI
errSenapathi, Tharindu; Suruzhon, Miroslav; Barnett, Christopher B.; Essex, Jonathan; Naidoo, Kevin J.
err分享
err收藏
ProtoCaller: Robust Automation of Binding Free Energy Calculations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-02-24
err18
errOAAI
errSuruzhon, Miroslav; Senapathi, Tharindu; Bodnarchuk, Michael S.; Viner, Russell; Wall, Ian D.; Barnett, Christopher B.; Naidoo, Kevin J.; Essex, Jonathan W.
err分享
err收藏
Denoising Autoencoder Self-Organizing Map (DASOM)去噪自动编码器自组织映射 (DASOM)
errNEURAL NETWORKS
IF6.3
err2018-09-01
err42
PREAI
errFerles, Christos; Papanikolaou, Yannis; Naidoo, Kevin J.
err分享
err收藏
Producing DFT/MM Enzyme Reaction Trajectories from SCC-DFTB/MM Driving Forces to Probe the Underlying Electronics of a Glycosyltransferase Reaction
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2017-05-10
err4
PREAI
errRogers, Ian L.; Naidoo, Kevin J.
err分享
err收藏
Conformational and electrostatic analysis of SN1 donor analogue glycomimetic inhibitors of ST3Gal-I mammalian sialyltransferase
errBIOORGANIC & MEDICINAL CHEMISTRY
IF3
err2016-10-01
err2
PREAI
errCrous, Werner; Naidoo, Kevin J.
err分享
err收藏
Multidimensional Reaction Dynamics Reveal How the Enzyme TcTS Suppresses Competing Side Reactions and Their Side Products
errACS CATALYSIS
IF13.1
err2016-08-29
err3
PREAI
errRogers, Ian L.; Naidoo, Kevin J.
err分享
err收藏
Glycosyltransferase Gene Expression Profiles Classify Cancer Types and Propose Prognostic Subtypes糖基转移酶基因表达谱对癌症类型进行分类并提出预后亚型
errSCIENTIFIC REPORTS
IF3.9
err2016-05-20
err72
errOAAI
errAshkani, Jahanshah; Naidoo, Kevin J.
err分享
err收藏
Solution structures of chloroquine-ferriheme complexes modeled using MD simulation and investigated by EXAFS spectroscopy
errJOURNAL OF INORGANIC BIOCHEMISTRY
IF3.2
err2016-01-01
err18
PREAI
errKuter, David; Streltsov, Victor; Davydova, Natalia; Venter, Gerhard A.; Naidoo, Kevin J.; Egan, Timothy J.
err分享
err收藏
Quantum supercharger library: Hyper-parallelism of the Hartree-Fock method
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-05-14
err10
PREAI
errFernandes, Kyle D.; Renison, C. Alicia; Naidoo, Kevin J.
err分享
err收藏
Quantum supercharger library: Hyper-parallel integral derivatives algorithms for ab initio QM/MM dynamics
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-05-14
err8
PREAI
errRenison, C. Alicia; Fernandes, Kyle D.; Naidoo, Kevin J.
err分享
err收藏

研究方向

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合作学者
合作期刊
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Laura Gagliardi
H 指数: 97 · 论文数: 1.1K
R
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H 指数: 94 · 论文数: 636
K
Kenneth M. Merz
H 指数: 83 · 论文数: 691
J
Jiali Gao
H 指数: 82 · 论文数: 429
Q
Qiang Cui
H 指数: 81 · 论文数: 765
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