Junmei Wang

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 78

Top Venues

Journal of chemical information and modeling

ACS chemical neuroscience

Journal of chemical theory and computation

The Journal of chemical physics

University of Pittsburgh

Shandong Normal University (BSC)

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

Affiliation History

University of Pittsburgh

United States

Assocate Professor :: Pharmaceutical Sciences

University of Texas Southwestern Medical Center

United States

Assistant Professor :: Green Center for Systems Biology

Encysive Pharmaceuticals

United States

Senior Scientist

University of California San Francisco

United States

Postdoc :: Pharmaceutical Chemistry

Education History

Shandong Normal University

China

BSC :: Chemistry

Publications

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)
Luxuan Wang, Xibing He, Beihong Ji, Fengyang Han, Taoyu Niu, Lianjin Cai, Jingchen Zhai, Dongxiao Hao, Junmei Wang
Geometry Optimization Algorithms in Conjunction with the Machine Learning Potential ANI-2x Facilitate the Structure-Based Virtual Screening and Binding Mode Prediction. Biomolecules 14 (6) (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)
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)
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)
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)
Luxuan Wang, Xibing He, Beihong Ji, Fengyang Han, Taoyu Niu, Lianjin Cai, Jingchen Zhai, Dongxiao Hao, Junmei Wang
Geometry Optimization Algorithms in Conjunction with the Machine Learning Potential ANI-2x Facilitate the Structure-Based Virtual Screening and Binding Mode Prediction. Biomolecules 14 (6) (2024)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling 63 (4) (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Fengyang Han, Dongxiao Hao, Xibing He, Luxuan Wang, Taoyu Niu, Junmei Wang
Distribution of Bound Conformations in Conformational Ensembles for X-ray Ligands Predicted by the ANI-2X Machine Learning Potential. Journal of chemical information and modeling (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Taoyu Niu, Xibing He, Fengyang Han, Luxuan Wang, Junmei Wang
Development and test of highly accurate endpoint free energy methods. 3: partition coefficient prediction using a Poisson-Boltzmann method combined with a solvent accessible surface area model for SAMPL challenges. Physical chemistry chemical physics : PCCP (2023)
Lianjin Cai, Fengyang Han, Beihong Ji, Xibing He, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Junmei Wang
In Silico Screening of Natural Flavonoids against 3-Chymotrypsin-like Protease of SARS-CoV-2 Using Machine Learning and Molecular Modeling. Molecules (Basel, Switzerland) 28 (24) (2023)
Lianjin Cai, Fengyang Han, Beihong Ji, Xibing He, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Junmei Wang
In Silico Screening of Natural Flavonoids against 3-Chymotrypsin-like Protease of SARS-CoV-2 Using Machine Learning and Molecular Modeling. Molecules (Basel, Switzerland) 28 (24) (2023)
Haixia Ge, Beihong Ji, Jiahui Fang, Jia-Yang Wang, Jing Li, Junmei Wang
Discovery of Potent and Selective CB2 Agonists Utilizing a Function-Based Computational Screening Protocol. ACS chemical neuroscience (2023)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling 63 (4) (2023)
David A Case, Hasan Metin Aktulga, Kellon Belfon, David S Cerutti, Gerardo Andrés Cisneros, Vinícius Wilian D Cruzeiro, Negin Forouzesh, Timothy J Giese, Andreas W Götz, Holger Gohlke, Saeed Izadi, Koushik Kasavajhala, Mehmet C Kaymak, Edward King, Tom Kurtzman, Tai-Sung Lee, Pengfei Li, Jian Liu, Tyler Luchko, Ray Luo, Madushanka Manathunga, Matías R Machado, Hai Minh Nguyen, Kurt A O'Hearn, Alexey V Onufriev, Feng Pan, Sergio Pantano, Ruxi Qi, Ali Rahnamoun, Ali Risheh, Stephan Schott-Verdugo, Akhil Shajan, Jason Swails, Junmei Wang, Haixin Wei, Xiongwu Wu, Yongxian Wu, Shi Zhang, Shiji Zhao, Qiang Zhu, Thomas E Cheatham, Daniel R Roe, Adrian E Roitberg, Carlos L Simmerling, Darrin M York, Maria C Nagan, Kenneth M Merz
AmberTools. Journal of chemical information and modeling (2023)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling (2023)
Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan M Mathiowetz, Benjamin J Burke, Robert A Kumpf, Brajesh K Rai, Geoffrey P F Wood, Frank C Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Yide Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation. Journal of chemical theory and computation (2023)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling 63 (4) (2023)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling 63 (4) (2023)
Yuchen Sun, Xibing He, Tingjun Hou, Lianjin Cai, Viet Hoag Man, Junmei Wang
Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvation free energy prediction by the PBSA method. Journal of computational chemistry (2023)
Yongqi Huang, Jitao Wen, Lisa-Marie Ramirez, Eymen Gümüşdil, Pravin Pokhrel, Viet H Man, Haiqiong Ye, Yue Han, Yunfei Liu, Ping Li, Zhengding Su, Junmei Wang, Han-Bin Mao, Markus Zweckstetter, Sarah Perrett, Si Wu, Meng Gao
Methylene blue accelerates liquid-to-gel transition of tau condensates impacting tau function and pathology. Nature communications 14 (1) (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan M Mathiowetz, Benjamin J Burke, Robert A Kumpf, Brajesh K Rai, Geoffrey P F Wood, Frank C Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Yide Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation. Journal of chemical theory and computation 20 (2) (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. Journal of chemical information and modeling 63 (4) (2023)
Yuchen Sun, Tingjun Hou, Xibing He, Viet Hoang Man, Junmei Wang
Development and test of highly accurate endpoint free energy methods. 2: Prediction of logarithm of n-octanol-water partition coefficient (logP) for druglike molecules using MM-PBSA method. Journal of computational chemistry (2023)
Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan M Mathiowetz, Benjamin J Burke, Robert A Kumpf, Brajesh K Rai, Geoffrey P F Wood, Frank C Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Yide Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation. Journal of chemical theory and computation 20 (2) (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience 14 (3) (2023)
Lianjin Cai, Fengyang Han, Beihong Ji, Xibing He, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Junmei Wang
In Silico Screening of Natural Flavonoids against 3-Chymotrypsin-like Protease of SARS-CoV-2 Using Machine Learning and Molecular Modeling. Molecules (Basel, Switzerland) 28 (24) (2023)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study. ACS chemical neuroscience (2023)
Yuchen Sun, Tingjun Hou, Xibing He, Viet Hoang Man, Junmei Wang
Development and test of highly accurate endpoint free energy methods. 2: Prediction of logarithm of n-octanol-water partition coefficient (logP) for druglike molecules using MM-PBSA method. Journal of computational chemistry (2023)
Dongxiao Hao, Xibing He, Adrian E Roitberg, Shengli Zhang, Junmei Wang
Development and Evaluation of Geometry Optimization Algorithms in Conjunction with ANI Potentials. Journal of chemical theory and computation 18 (2) (2022)
Jingchen Zhai, Beihong Ji, Shuhan Liu, Yuzhao Zhang, Lianjin Cai, Junmei Wang
In Silico Prediction of Pharmacokinetic Profile for Human Oral Drug Candidates Which Lack Clinical Pharmacokinetic Experiment Data. European journal of drug metabolism and pharmacokinetics 47 (3) (2022)
Asuka A Orr, Suliman Sharif, Junmei Wang, Alexander D MacKerell
Preserving the Integrity of Empirical Force Fields. Journal of chemical information and modeling 62 (16) (2022)
Nguyen Hoang Linh, Viet Hoang Man, Mai Suan Li, Philippe Derreumaux, Junmei Wang, Phuong Hoang Nguyen
Elastic moduli of normal and cancer cell membranes revealed by molecular dynamics simulations. Physical chemistry chemical physics : PCCP 24 (10) (2022)
Xibing He, Viet Hoang Man, Jie Gao, Junmei Wang
Investigation of the Structure of Full-Length Tau Proteins with Coarse-Grained and All-Atom Molecular Dynamics Simulations. ACS chemical neuroscience (2022)
Jingchen Zhai, Xibing He, Viet Hoang Man, Yuchen Sun, Beihong Ji, Lianjin Cai, Junmei Wang
A multiple-step in silico screening protocol to identify allosteric inhibitors of Spike-hACE2 binding. Physical chemistry chemical physics : PCCP 24 (7) (2022)
Xibing He, Viet Hoang Man, Jie Gao, Junmei Wang
Investigation of the Structure of Full-Length Tau Proteins with Coarse-Grained and All-Atom Molecular Dynamics Simulations. ACS chemical neuroscience 14 (2) (2022)
Sheng Yang, Yubo Tang, Yijun Liu, Abbigale J Brown, Matthias Schaks, Bojian Ding, Daniel A Kramer, Magdalena Mietkowska, Li Ding, Olga Alekhina, Daniel D Billadeau, Saikat Chowdhury, Junmei Wang, Klemens Rottner, Baoyu Chen
Arf GTPase activates the WAVE regulatory complex through a distinct binding site. Science advances 8 (50) (2022)
Jingchen Zhai, Beihong Ji, Lianjin Cai, Shuhan Liu, Yuchen Sun, Junmei Wang
Physiologically-Based Pharmacokinetics Modeling for Hydroxychloroquine as a Treatment for Malaria and Optimized Dosing Regimens for Different Populations. Journal of personalized medicine 12 (5) (2022)
Xibing He, Viet Hoang Man, Jie Gao, Junmei Wang
Investigation of the Structure of Full-Length Tau Proteins with Coarse-Grained and All-Atom Molecular Dynamics Simulations. ACS chemical neuroscience 14 (2) (2022)
Viet Hoang Man, Xibing He, Junmei Wang
Stable Cavitation Interferes with Aβ 16-22 Oligomerization. Journal of chemical information and modeling 62 (16) (2022)
Robin Wray, Junmei Wang, Paul Blount, Irene Iscla
Activation of a Bacterial Mechanosensitive Channel, MscL, Underlies the Membrane Permeabilization of Dual-Targeting Antibacterial Compounds. Antibiotics (Basel, Switzerland) 11 (7) (2022)
Jingchen Zhai, Xibing He, Yuchen Sun, Zhuoya Wan, Beihong Ji, Shuhan Liu, Song Li, Junmei Wang
In silico binding affinity prediction for metabotropic glutamate receptors using both endpoint free energy methods and a machine learning-based scoring function. Physical chemistry chemical physics : PCCP 24 (30) (2022)
Sheng Yang, Yubo Tang, Yijun Liu, Abbigale J Brown, Matthias Schaks, Bojian Ding, Daniel A Kramer, Magdalena Mietkowska, Li Ding, Olga Alekhina, Daniel D Billadeau, Saikat Chowdhury, Junmei Wang, Klemens Rottner, Baoyu Chen
Arf GTPase activates the WAVE regulatory complex through a distinct binding site. Science advances 8 (50) (2022)
Jialu Wu, Junmei Wang, Zhenxing Wu, Shengyu Zhang, Yafeng Deng, Yu Kang, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
ALipSol: An Attention-Driven Mixture-of-Experts Model for Lipophilicity and Solubility Prediction. Journal of chemical information and modeling (2022)
Xibing He, Viet Hoang Man, Jie Gao, Junmei Wang
Investigation of the Structure of Full-Length Tau Proteins with Coarse-Grained and All-Atom Molecular Dynamics Simulations. ACS chemical neuroscience 14 (2) (2022)
Nguyen Hoang Linh, Viet Hoang Man, Mai Suan Li, Junmei Wang, Philippe Derreumaux, Thi Ly Mai, Phuong Hoang Nguyen
Molecular dynamics simulation of cancer cell membrane perforated by shockwave induced bubble collapse. The Journal of chemical physics 157 (22) (2022)
Robin Wray, Paul Blount, Junmei Wang, Irene Iscla
In Silico Screen Identifies a New Family of Agonists for the Bacterial Mechanosensitive Channel MscL. Antibiotics (Basel, Switzerland) 11 (4) (2022)
Viet Hoang Man, Xiongwu Wu, Xibing He, Xiang-Qun Xie, Bernard R Brooks, Junmei Wang
Determination of van der Waals Parameters Using a Double Exponential Potential for Nonbonded Divalent Metal Cations in TIP3P Solvent. Journal of chemical theory and computation 17 (2) (2021)
Beihong Ji, Ying Xue, Yuanyuan Xu, Shuhan Liu, Albert H Gough, Xiang-Qun Xie, Junmei Wang
Drug-Drug Interaction Between Oxycodone and Diazepam by a Combined in Silico Pharmacokinetic and Pharmacodynamic Modeling Approach. ACS chemical neuroscience 12 (10) (2021)
Beihong Ji, Xibing He, Yuzhao Zhang, Jingchen Zhai, Viet Hoang Man, Shuhan Liu, Junmei Wang
Incorporating structural similarity into a scoring function to enhance the prediction of binding affinities. Journal of cheminformatics 13 (1) (2021)
Viet Hoang Man, Mai Suan Li, Philippe Derreumaux, Junmei Wang, Toan The Nguyen, Shikha Nangia, Phuong Hoang Nguyen
Molecular mechanism of ultrasound interaction with a blood brain barrier model. The Journal of chemical physics 153 (4) (2021)
Beihong Ji, Xibing He, Jingchen Zhai, Yuzhao Zhang, Viet Hoang Man, Junmei Wang
Machine learning on ligand-residue interaction profiles to significantly improve binding affinity prediction. Briefings in bioinformatics 22 (5) (2021)
Pora Kim, Hanyang Li, Junmei Wang, Zhong-Ming Zhao
Landscape of drug-resistance mutations in kinase regulatory hotspots. Briefings in bioinformatics 22 (3) (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)
Viet Hoang Man, Mai Suan Li, Philippe Derreumaux, Junmei Wang, Phuong Hoang Nguyen
Molecular Mechanism of Ultrasound-Induced Structural Defects in Liposomes: A Nonequilibrium Molecular Dynamics Simulation Study. Langmuir : the ACS journal of surfaces and colloids 37 (26) (2021)
Viet Hoang Man, Xibing He, Jie Gao, Junmei Wang
Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of PHF6 Peptide of Tau Protein. Journal of chemical theory and computation 17 (10) (2021)
Arne Strand, San-Tai Shen, Diana R Tomchick, Junmei Wang, Chyung-Ru Wang, Johann Deisenhofer
Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides. Journal of biomolecular structure & dynamics (2021)
Ercheng Wang, Weitao Fu, De-Jun Jiang, Huiyong Sun, Junmei Wang, Xujun Zhang, Gaoqi Weng, Hui Liu, Peng Tao, Ting-Jun Hou
VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations. Journal of chemical information and modeling 61 (6) (2021)
Beihong Ji, Shuhan Liu, Ying Xue, Xibing He, Viet Hoang Man, Xiang-Qun Xie, Junmei Wang
Prediction of Drug-Drug Interactions Between Opioids and Overdosed Benzodiazepines Using Physiologically Based Pharmacokinetic (PBPK) Modeling and Simulation. Drugs in R&D 19 (3) (2020)
Dongxiao Hao, Xibing He, Beihong Ji, Shengli Zhang, Junmei Wang
How Well Does the Extended Linear Interaction Energy Method Perform in Accurate Binding Free Energy Calculations? Journal of chemical information and modeling 60 (12) (2020)
Viet Hoang Man, Xibing He, Beihong Ji, Shuhan Liu, Xiang-Qun Xie, Junmei Wang
Introducing Virtual Oligomerization Inhibition to Identify Potent Inhibitors of Aβ Oligomerization. Journal of chemical theory and computation 16 (6) (2020)
Austin Gamble Jarvi, Artur Sargun, Xiaowei Bogetti, Junmei Wang, Catalina Achim, Sunil Saxena
Development of Cu2+-Based Distance Methods and Force Field Parameters for the Determination of PNA Conformations and Dynamics by EPR and MD Simulations. The journal of physical chemistry. B 124 (35) (2020)
Beihong Ji, Shuhan Liu, Xibing He, Viet Hoang Man, Xiang-Qun Xie, Junmei Wang
Prediction of the Binding Affinities and Selectivity for CB1 and CB2 Ligands Using Homology Modeling, Molecular Docking, Molecular Dynamics Simulations, and MM-PBSA Binding Free Energy Calculations. ACS chemical neuroscience 11 (8) (2020)
Junmei Wang
Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing Study. Journal of chemical information and modeling 60 (6) (2020)
Bala M Xavier, Aiman A Zein, Angelica Venes, Junmei Wang, Jyh-Yeuan Lee
Transmembrane Polar Relay Drives the Allosteric Regulation for ABCG5/G8 Sterol Transporter. International journal of molecular sciences 21 (22) (2020)
Xibing He, Viet Hoang Man, Wei Yang, Tai-Sung Lee, Junmei Wang
A fast and high-quality charge model for the next generation general AMBER force field. The Journal of chemical physics 153 (11) (2020)
Viet Hoang Man, Xibing He, Philippe Derreumaux, Beihong Ji, Xiang-Qun Xie, Phuong H Nguyen, Junmei Wang
Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16-22 Dimer. Journal of chemical theory and computation 15 (2) (2019)
Junmei Wang, Yubin Ge, Xiang-Qun Xie
Development and Testing of Druglike Screening Libraries. Journal of chemical information and modeling 59 (1) (2019)
Ercheng Wang, Huiyong Sun, Junmei Wang, Zhe Wang, Hui Liu, John Zenghui Zhang, Ting-Jun Hou
End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design. Chemical reviews 119 (16) (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)
Viet Hoang Man, Xibing He, Beihong Ji, Shuhan Liu, Xiang-Qun Xie, Junmei Wang
Molecular Mechanism and Kinetics of Amyloid-β42 Aggregate Formation: A Simulation Study. ACS chemical neuroscience 10 (11) (2019)
Xibing He, Viet H Man, Beihong Ji, Xiang-Qun Xie, Junmei Wang
Calculate protein-ligand binding affinities with the extended linear interaction energy method: application on the Cathepsin S set in the D3R Grand Challenge 3. Journal of computer-aided molecular design 33 (1) (2018)
Jun Shang, Ben Hu, Junmei Wang, Jian Zhang, Yu Kang, Dan Li, Huiyong Sun, De-Xin Kong, Ting-Jun Hou
Cheminformatic Insight into the Differences between Terrestrial and Marine Originated Natural Products. Journal of chemical information and modeling 58 (6) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Junmei Wang