Ray Luo

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 63

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

International journal of molecular sciences

Peking University (BSC)

This page only lists publications with an associated author ORCID identifier.

Education History

Peking University

China

BSC :: Biology

University of Maryland

United States

PHD :: Chemistry and Biochemistry

Publications

Derek Aspacio, Yulai Zhang, Youtian Cui, Emma Luu, Edward King, William B Black, Sean Perea, Qiang Zhu, Yongxian Wu, Ray Luo, Justin B Siegel, Han Li
Shifting redox reaction equilibria on demand using an orthogonal redox cofactor. Nature chemical biology (2024)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation (2024)
Yong Duan, Taoyu Niu, Junmei Wang, Piotr Cieplak, Ray Luo
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents. Journal of chemical theory and computation (2024)
Ashfaq Ur Rehman, Cizhang Zhao, Yongxian Wu, Qiang Zhu, Ray Luo
Targeting SHP2 Cryptic Allosteric Sites for Effective Cancer Therapy. International journal of molecular sciences 25 (11) (2024)
Qiang Zhu, Yongxian Wu, Ray Luo
Understanding and fine tuning the propensity of ATP-driven liquid-liquid phase separation with oligolysine. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 20 (5) (2024)
Qiang Zhu, Yongxian Wu, Ray Luo
Understanding and fine tuning the propensity of ATP-driven liquid-liquid phase separation with oligolysine. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Yong Duan, Taoyu Niu, Junmei Wang, Piotr Cieplak, Ray Luo
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents. Journal of chemical theory and computation 20 (7) (2024)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 20 (5) (2024)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 20 (5) (2024)
Yong Duan, Taoyu Niu, Junmei Wang, Piotr Cieplak, Ray Luo
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents. Journal of chemical theory and computation 20 (7) (2024)
Ashfaq Ur Rehman, Cizhang Zhao, Yongxian Wu, Qiang Zhu, Ray Luo
Targeting SHP2 Cryptic Allosteric Sites for Effective Cancer Therapy. International journal of molecular sciences 25 (11) (2024)
Derek Aspacio, Yulai Zhang, Youtian Cui, Emma Luu, Edward King, William B Black, Sean Perea, Qiang Zhu, Yongxian Wu, Ray Luo, Justin B Siegel, Han Li
Shifting redox reaction equilibria on demand using an orthogonal redox cofactor. Nature chemical biology (2024)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 20 (5) (2024)
Qiang Zhu, Yongxian Wu, Ray Luo
Understanding and fine tuning the propensity of ATP-driven liquid-liquid phase separation with oligolysine. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Yong Duan, Taoyu Niu, Junmei Wang, Piotr Cieplak, Ray Luo
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents. Journal of chemical theory and computation 20 (7) (2024)
Ashfaq Ur Rehman, Cizhang Zhao, Yongxian Wu, Qiang Zhu, Ray Luo
Targeting SHP2 Cryptic Allosteric Sites for Effective Cancer Therapy. International journal of molecular sciences 25 (11) (2024)
Yong Duan, Taoyu Niu, Junmei Wang, Piotr Cieplak, Ray Luo
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents. Journal of chemical theory and computation 20 (7) (2024)
Qiang Zhu, Yongxian Wu, Ray Luo
Understanding and fine tuning the propensity of ATP-driven liquid-liquid phase separation with oligolysine. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Qiang Zhu, Yongxian Wu, Ray Luo
Understanding and fine tuning the propensity of ATP-driven liquid-liquid phase separation with oligolysine. Physical chemistry chemical physics : PCCP (2024)
Qiang Zhu, Yongxian Wu, Ray Luo
Understanding and fine tuning the propensity of ATP-driven liquid-liquid phase separation with oligolysine. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 20 (5) (2024)
Qiang Zhu, Yongxian Wu, Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Streamlining and Optimizing Strategies of Electrostatic Parameterization. Journal of chemical theory and computation (2023)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 19 (3) (2023)
Zhen Huang, Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo, Haixin Wei
Optimal Scheme to Achieve Energy Conservation in Induced Dipole Models. Journal of chemical theory and computation (2023)
Yongxian Wu, Haixin Wei, Qiang Zhu, Ray Luo
Grid-Robust Efficient Neural Interface Model for Universal Molecule Surface Construction from Point Clouds. The journal of physical chemistry letters (2023)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation (2023)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 19 (3) (2023)
Qiang Zhu, Ray Luo
Recent Advances in Biomolecular Recognition. International journal of molecular sciences 24 (9) (2023)
Qiang Zhu, Ray Luo
Recent Advances in Biomolecular Recognition. International journal of molecular sciences 24 (9) (2023)
Edward King, Youtian Cui, Derek Aspacio, Frances Nicklen, Linyue Zhang, Sarah Maxel, Ray Luo, Justin B Siegel, Erick Aitchison, Han Li
Engineering Embden-Meyerhof-Parnas Glycolysis to Generate Noncanonical Reducing Power. ACS catalysis 12 (14) (2022)
Beenish Khurshid, Ashfaq Ur Rehman, Ray Luo, Alamzeb Khan, Abdul Wadood, Jamshed Anwar
Heparin-Assisted Amyloidogenesis Uncovered through Molecular Dynamics Simulations. ACS omega 7 (17) (2022)
Shiji Zhao, Haixin Wei, Piotr Cieplak, Yong Duan, Ray Luo
Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 18 (10) (2022)
Shiji Zhao, Haixin Wei, Piotr Cieplak, Yong Duan, Ray Luo
PyRESP : A Program for Electrostatic Parameterizations of Additive and Induced Dipole Polarizable Force Fields. Journal of chemical theory and computation 18 (6) (2022)
Haixin Wei, Zekai Zhao, Ray Luo
Machine-Learned Molecular Surface and Its Application to Implicit Solvent Simulations. Journal of chemical theory and computation 17 (10) (2021)
Edward King, Ruxi Qi, Han Li, Ray Luo, Erick Aitchison
Estimating the Roles of Protonation and Electronic Polarization in Absolute Binding Affinity Simulations. Journal of chemical theory and computation 17 (4) (2021)
Haixin Wei, Ruxi Qi, Junmei Wang, Piotr Cieplak, Yong Duan, Ray Luo
Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations. The Journal of chemical physics 153 (11) (2021)
Sarah Maxel, Samer Saleh, Edward King, Derek Aspacio, Linyue Zhang, Ray Luo, Han Li
Growth-Based, High-Throughput Selection for NADH Preference in an Oxygen-Dependent Biocatalyst. ACS synthetic biology 10 (9) (2021)
Junxi Mu, Hao Liu, Jian Zhang, Ray Luo, Hai-Feng Chen
Recent Force Field Strategies for Intrinsically Disordered Proteins. Journal of chemical information and modeling 61 (3) (2021)
Shiji Zhao, Andrew J Schaub, Shiou-Chuan Tsai, Ray Luo
Development of a Pantetheine Force Field Library for Molecular Modeling. Journal of chemical information and modeling 61 (2) (2021)
Dong Song, Hao Liu, Ray Luo, Hai-Feng Chen
Environment-Specific Force Field for Intrinsically Disordered and Ordered Proteins. Journal of chemical information and modeling 60 (4) (2020)
Sarah Maxel, Linyue Zhang, Edward King, Ana Paula Acosta, Ray Luo, Han Li
In Vivo, High-Throughput Selection of Thermostable Cyclohexanone Monooxygenase (CHMO). Catalysts (Basel, Switzerland) 10 (8) (2020)
Sarah Maxel, Edward King, Yulai Zhang, Ray Luo, Han Li
Leveraging Oxidative Stress to Regulate Redox Balance-Based, In Vivo Growth Selections for Oxygenase Engineering. ACS synthetic biology 9 (11) (2020)
Shiji Zhao, Fanglue Ni, Tianyin Qiu, Jacob T Wolff, Shiou-Chuan Tsai, Ray Luo
Molecular Basis for Polyketide Ketoreductase-Substrate Interactions. International journal of molecular sciences 21 (20) (2020)
Haixin Wei, Aaron Luo, Tianyin Qiu, Ray Luo, Ruxi Qi
Improved Poisson-Boltzmann Methods for High-Performance Computing. Journal of chemical theory and computation 15 (11) (2019)
Yangpeng Zhang, Hao Liu, Sheng Yang, Ray Luo, Hai-Feng Chen
Well-Balanced Force Field ff03CMAP for Folded and Disordered Proteins. Journal of chemical theory and computation 15 (12) (2019)
Rebecca E Vargas, Vy Thuy Duong, Han Han, Albert Paul Ta, Yuxuan Chen, Shiji Zhao, Bing Yang, Gayoung Seo, Kimberly Chuc, Sunwoo Oh, Amal El Ali, Olga V Razorenova, Junjie Chen, Ray Luo, Xu Li, Wenqi Wang
Elucidation of WW domain ligand binding specificities in the Hippo pathway reveals STXBP4 as YAP inhibitor. The EMBO journal 39 (1) (2019)
Junmei Wang, Piotr Cieplak, Ray Luo, Yong Duan
Development of Polarizable Gaussian Model for Molecular Mechanical Calculations I: Atomic Polarizability Parameterization To Reproduce ab Initio Anisotropy. Journal of chemical theory and computation 15 (2) (2019)
Haixin Wei, Ray Luo, Ruxi Qi
An efficient second-order poisson-boltzmann method. Journal of computational chemistry 40 (12) (2019)
D'Artagnan Greene, Ruxi Qi, Remy Nguyen, Tianyin Qiu, Ray Luo
Heterogeneous Dielectric Implicit Membrane Model for the Calculation of MMPBSA Binding Free Energies. Journal of chemical information and modeling 59 (6) (2019)
William B Black, Edward King, Yixi Wang, Ana Jenic, Andrew T Rowley, Kosuke Seki, Ray Luo, Han Li
Engineering a Coenzyme A Detour To Expand the Product Scope and Enhance the Selectivity of the Ehrlich Pathway. ACS synthetic biology 7 (12) (2018)
D'Artagnan Greene, Theodora Po, Jennifer Pan, Tanya Tabibian, Ray Luo
Computational Analysis for the Rational Design of Anti-Amyloid Beta (Aβ) Antibodies. The journal of physical chemistry. B 122 (16) (2018)
Ruxi Qi, Ray Luo
Robustness and Efficiency of Poisson-Boltzmann Modeling on Graphics Processing Units. Journal of chemical information and modeling 59 (1) (2018)
Li Xiao, Ray Luo
Exploring a multi-scale method for molecular simulation in continuum solvent model: Explicit simulation of continuum solvent as an incompressible fluid. The Journal of chemical physics 147 (21) (2018)
Vy T Duong, Zihao Chen, Mahendra T Thapa, Ray Luo
Computational Studies of Intrinsically Disordered Proteins. The journal of physical chemistry. B 122 (46) (2018)
Bryan D Ellis, Jacob C Milligan, Alexander R White, Vy Duong, Pilar X Altman, Lina Y Mohammed, Matthew P Crump, John Crosby, Ray Luo, Christopher D Vanderwal, Shiou-Chuan Tsai
An Oxetane-Based Polyketide Surrogate To Probe Substrate Binding in a Polyketide Synthase. Journal of the American Chemical Society 140 (15) (2018)
Linyue Zhang, Edward King, Ray Luo, Han Li
Development of a High-Throughput, In Vivo Selection Platform for NADPH-Dependent Reactions Based on Redox Balance Principles. ACS synthetic biology 7 (7) (2018)
Changhao Wang, Li Xiao, Ray Luo
Numerical interpretation of molecular surface field in dielectric modeling of solvation. Journal of computational chemistry 38 (14) (2017)
Li Xiao, Jianxiong Diao, D'Artagnan Greene, Junmei Wang, Ray Luo
A Continuum Poisson-Boltzmann Model for Membrane Channel Proteins. Journal of chemical theory and computation 13 (7) (2017)
Changhao Wang, Pengyu Ren, Ray Luo
Ionic Solution: What Goes Right and Wrong with Continuum Solvation Modeling. The journal of physical chemistry. B 121 (49) (2017)
Dong Song, Ray Luo, Hai-Feng Chen
The IDP-Specific Force Field ff14IDPSFF Improves the Conformer Sampling of Intrinsically Disordered Proteins. Journal of chemical information and modeling 57 (5) (2017)
Ruxi Qi, Wesley M Botello-Smith, Ray Luo
Acceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units. Journal of chemical theory and computation 13 (7) (2017)
Wei Ye, Tianle Qian, Hao Liu, Ray Luo, Hai-Feng Chen
Allosteric Autoinhibition Pathway in Transcription Factor ERG: Dynamics Network and Mutant Experimental Evaluations. Journal of chemical information and modeling 57 (5) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Ray Luo