Junmei Wang - Dissemin

All papers authored by Junmei Wang

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2022 Asuka A. Orr

, Suliman Sharif, Junmei Wang

, Alexander D. MacKerell

Preserving the Integrity of Empirical Force Fields

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2021 Ercheng Wang, Weitao Fu, Dejun Jiang

, Huiyong Sun, Junmei Wang

, Xujun Zhang, Gaoqi Weng, Hui Liu

, Peng Tao, Tingjun Hou

VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein–Ligand Binding Free Energy Calculations

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2019 Ercheng Wang, Huiyong Sun

, Junmei Wang

, Zhe Wang, Hui Liu

, John Z. H. Zhang

, Tingjun Hou

End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design

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Shuhan Liu

, Xibing He

, Viet Hoang Man

, Beihong Ji

, Junjun Liu

, Junmei Wang

New application of in silico methods in identifying mechanisms of action and key components of anti-cancer herbal formulation YIV-906 (PHY906)

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This paper is available in a repository.

2016 Zhenhua H. Shao, Karen Chapman, Jie Yin, Magdalena Grzemska, Lindsay Clark, Junmei Wang

, Daniel M. Rosenbaum

High-resolution crystal structure of the human CB1 cannabinoid receptor

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This paper is made freely available by the publisher.

Robin Wray, Irene Iscla

, Ya Gao, Hua Li, Junmei Wang

, Paul Blount

Dihydrostreptomycin Directly Binds to, Modulates, and Passes through the MscL Channel Pore

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Jyh-Yeuan Lee, Lisa N. Kinch, Dominika M. Borek, Jin Wang

, Junmei Wang, Ina L. Urbatsch, Xiao-Song Xie, Nikolai V. Grishin, Jonathan C. Cohen, Zbyszek Otwinowski, Helen H. Hobbs, Daniel M. Rosenbaum

Crystal structure of the human sterol transporter ABCG5/ABCG8

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2015 Sheng Tian, Junmei Wang

, Youyong Li, Dan Li, Lei Xu, Tingjun Hou

The application of in silico drug-likeness predictions in pharmaceutical research

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Junmei Wang

, Tingjun Hou

Advances in Computationally Modeling Human Oral Bioavailability

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2014 Huiyong Sun, Youyong Li, Sheng Tian, Junmei Wang

, Tingjun Hou

P-loop Conformation Governed Crizotinib Resistance in G2032R-Mutated ROS1 Tyrosine Kinase: Clues from Free Energy Landscape

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Qian Zhang, Youyong Li, Wei Zhang, Junmei Wang

, Jian Zhang, Tingjun Hou

MORT: a powerful foundational library for computational biology and CADD

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2013 Qian Zhang, Junmei Wang

, Ginés D. Guerrero, José M. Cecilia, José M. García, Youyong Li, Horacio Perez Sanchez, Tingjun Hou

Accelerated Conformational Entropy Calculations Using Graphic Processing Units

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Lei Xu, Huiyong Sun, Youyong Li, Junmei Wang

, Tingjun Hou

Assessing the performance of MM/PBSA and MM/GBSA methods. 3. The impact of force fields and ligand charge models

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Sheng Tian, Youyong Li, Dan Li, Xiaojie Xu, Junmei Wang

, Qian Zhang, Tingjun Hou

Modeling Compound-Target Interaction Network of Traditional Chinese Medicines for Type II Diabetes Mellitus: Insight for Polypharmacology and Drug Design

Download from www.researchgate.net

Sheng Tian, Youyong Li, Junmei Wang

, Xiaojie Xu, Lei Xu, Xiaohong Wang, Lei Chen, Tingjun Hou

Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Junmei Wang

Prediction of binding affinities with a Poisson-Boltzmann continuum solvent model

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2012 Mingyun Shen, Sheng Tian, Youyong Li, Qian Li, Xiaojie Xu, Junmei Wang

, Tingjun Hou

Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines

Download from link.springer.com

Zhang Qian, Wei Zhang, Youyong Li, Junmei Wang

, Liling Zhang, Tingjun Hou

A rule-based algorithm for automatic bond type perception

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Jun Wang

, Piotr Cieplak, Qin Cai, Meng-Juei Hsieh, Junmei Wang, Yong Duan, Ray Luo

Development of Polarizable Models for Molecular Mechanical Calculations. 3. Polarizable Water Models Conforming to Thole Polarization Screening Schemes

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All papers authored by Junmei Wang