Junmei Wang

Overview

Best Publications

• Development and testing of a general amber force field.

  Junmei Wang;Romain M. Wolf;James W. Caldwell;Peter A. Kollman

  20295
  Citations

• How Well Does a Restrained Electrostatic Potential (RESP) Model Perform in Calculating Conformational Energies of Organic and Biological Molecules

  Junmei Wang;Piotr Cieplak;Piotr Cieplak;Peter A. Kollman

  6238
  Citations

• Automatic atom type and bond type perception in molecular mechanical calculations.

  Junmei Wang;Wei Wang;Peter A. Kollman;David A. Case

  5842
  Citations

• A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.

  Yong Duan;Chun Wu;Shibasish Chowdhury;Mathew C. Lee

  5164
  Citations

• Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations.

  Tingjun Hou;Junmei Wang;Youyong Li;Wei Wang

  2754
  Citations

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

  Ercheng Wang;Huiyong Sun;Junmei Wang;Zhe Wang

  1951
  Citations

• AmberTools

  Unknown

  1584
  Citations

• 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

  Tingjun Hou;Junmei Wang;Youyong Li;Wei Wang

  979
  Citations

• Use of MM-PBSA in Reproducing the Binding Free Energies to HIV-1 RT of TIBO Derivatives and Predicting the Binding Mode to HIV-1 RT of Efavirenz by Docking and MM-PBSA

  Junmei Wang;Paul Morin;Wei Wang;Peter A. Kollman

  871
  Citations

• A fast and high-quality charge model for the next generation general AMBER force field.

  Xibing He;Viet H Man;Wei Yang;Tai-Sung Lee

  664
  Citations

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

  Sheng Tian;Junmei Wang;Youyong Li;Dan Li

  492
  Citations

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

  Lei Xu;Huiyong Sun;Youyong Li;Junmei Wang

  487
  Citations

• Fast Identification of Possible Drug Treatment of Coronavirus Disease -19 (COVID-19) Through Computational Drug Repurposing Study

  Junmei Wang

  487
  Citations

• High-resolution crystal structure of the human CB1 cannabinoid receptor

  Zhenhua Shao;Jie Yin;Karen Chapman;Magdalena Grzemska

  430
  Citations

• Recent advances in free energy calculations with a combination of molecular mechanics and continuum models

  Junmei M. Wang;Tingjun Hou;Tingjun Hou;Xiaojie Xu

  403
  Citations

• Polarization effects in molecular mechanical force fields.

  Piotr Cieplak;François Yves Dupradeau;Yong Duan;Junmei Wang

  399
  Citations

• General Copper‐Catalyzed Transformations of Functional Groups from Arylboronic Acids in Water

  Haijun Yang;Yong Li;Min Jiang;Junmei Wang

  355
  Citations

• Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, and David A. Case, "Development and testing of a general amber force field"Journal of Computational Chemistry(2004) 25(9) 1157–1174

  Junmei Wang;Junmei Wang;Romain M. Wolf;Romain M. Wolf;James W. Caldwell;James W. Caldwell;Peter A. Kollman;Peter A. Kollman

  329
  Citations

• Crystal structure of the human sterol transporter ABCG5/ABCG8

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

  283
  Citations

• ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification.

  Tingjun Hou;Junmei Wang;Wei Zhang;Xiaojie Xu

  277
  Citations

• New-Generation Amber United-Atom Force Field

  Lijiang Yang;Chun Hu Tan;Meng Juei Hsieh;Junmei Wang

  252
  Citations

• Identification of a specific inhibitor of the Dishevelled PDZ domain

  Jufang Shan;De Li Shi;Junmei Wang;Jie Zheng

  242
  Citations