Junmei Wang - Dissemin

Papers authored by Junmei Wang

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2012 Sheng Tian, Junmei Wang

, Youyong Li, Xiaojie Xu, Tingjun Hou

Drug-likeness Analysis of Traditional Chinese Medicines: Prediction of Drug-likeness Using Machine Learning Approaches

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Junmei Wang

, Piotr Cieplak, Jie Li, Qin Cai, Meng-Juei Hsieh, Ray Luo, Yong Duan

Development of Polarizable Models for Molecular Mechanical Calculations. 4. van der Waals Parametrization

Download from www.ncbi.nlm.nih.gov

Dongyue Cao, Junmei Wang

, Rui Zhou, Youyong Li, Huidong Yu, Tingjun Hou

ADMET Evaluation in Drug Discovery. 11. PharmacoKinetics Knowledge Base (PKKB): A Comprehensive Database of Pharmacokinetic and Toxic Properties for Drugs

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Junmei Wang

, Tingjun Hou

Develop and Test a Solvent Accessible Surface Area-Based Model in Conformational Entropy Calculations

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Sichao Wang, Youyong Li, Junmei Wang

, Lei Chen, Liling Zhang, Huidong Yu, Tingjun Hou

ADMET Evaluation in Drug Discovery. 12. Development of Binary Classification Models for Prediction of hERG Potassium Channel Blockage

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

Yong Duan, Qin Cai, Piotr Cieplak, Junmei Wang

, MengJuei Hsieh, Ray Luo

Development of polarizable force field for molecular mechanical calculations of proteins by quantitative comparison with experimental data

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2011 Junmei Wang

, Tingjun Hou

Application of Molecular Dynamics Simulations in Molecular Property Prediction II: Diffusion Coefficient

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Junmei Wang

, Tingjun Hou

Application of Molecular Dynamics Simulations in Molecular Property Prediction. 1. Density and Heat of Vaporization

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Sheng Tian, Youyong Li, Junmei Wang

, Jian Zhang, Tingjun Hou

ADME Evaluation in Drug Discovery. 9. Prediction of Oral Bioavailability in Humans Based on Molecular Properties and Structural Fingerprints

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Jingyu Zhu, Junmei Wang

, Huidong Yu, Youyong Li, Tingjun Hou

Recent Developments of In Silico Predictions of Oral Bioavailability

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Junmei Wang

, Tingjun Hou

Recent Advances on Aqueous Solubility Prediction

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Junmei Wang

, Piotr Cieplak, Jie Li, Jun Wang, Qin Cai, MengJuei Hsieh, Hongxing Lei, Ray Luo, Yong Duan

Development of Polarizable Models for Molecular Mechanical Calculations II: Induced Dipole Models Significantly Improve Accuracy of Intermolecular Interaction Energies

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Junmei Wang

, Piotr Cieplak, Jie Li, Tingjun Hou, Ray Luo, Yong Duan

Development of Polarizable Models for Molecular Mechanical Calculations I: Parameterization of Atomic Polarizability

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2010 Tingjun Hou, Junmei Wang

, Youyong Li, Wei Wang

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

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Tingjun Hou, Junmei Wang

, Youyong Li, Wei Wang

Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

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2009 Junmei Wang

, Tingjun Hou

Drug and Drug Candidate Building Block Analysis

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Se Pierce, Junmei Wang

, Janarthanan Jayawickramarajah, Ad Hamilton, Js Brodbelt

Examination of the effect of the annealing cation on higher order structures containing guanine or isoguanine repeats.

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Piotr Cieplak, François-Yves Dupradeau, Yong Duan, Junmei Wang

Polarization effects in molecular mechanical force fields

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Tingjun Hou, Youyong Li, Wei Zhang, Junmei Wang

Recent Developments of In Silico Predictions of Intestinal Absorption and Oral Bioavailability

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Junmei Wang

, Tingjun Hou, Xiaojie Xu

Aqueous Solubility Prediction Based on Weighted Atom Type Counts and Solvent Accessible Surface Areas

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Papers authored by Junmei Wang