Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity

Analysis of Binding Modes of Antigen–Antibody Complexes by Molecular Mechanics Calculation

(2021) Liang Qu et al.   Journal of Chemical Information and Modeling

Secondary Structure and Conformational Stability of the Antigen Residues Making Contact with Antibodies

(2021) Xinyue Qiao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Determinants of Active-Site Inhibitor Interaction with HIV-1 RNase H

(2019) Zhaoyong Xi et al.   ACS Infectious Diseases

Developing and Evaluating Inhibitors against the RNase H Active Site of HIV-1 Reverse Transcriptase

(2018) Paul L. Boyer et al.   JOURNAL OF VIROLOGY

A Dominant Factor for Structural Classification of Protein Crystals

(2015) Fei Qi et al.   Journal of Chemical Information and Modeling

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent

(2013) Pengfei Li et al.   Journal of Chemical Theory and Computation

Structural Modulation Study of Inhibitory Compounds for Ribonuclease H Activity of Human Immunodeficiency Virus Type 1 Reverse Transcriptase

(2012) Hiroshi Yanagita et al.   CHEMICAL & PHARMACEUTICAL BULLETIN

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born

(2012) Andreas W. Götz et al.   Journal of Chemical Theory and Computation

Overview of theCCP4 suite and current developments

(2011) Martyn D. Winn et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKaValues

(2011) Chresten R. Søndergaard et al.   Journal of Chemical Theory and Computation

XDS

(2010) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Structural and biochemical study on the inhibitory activity of derivatives of 5-nitro-furan-2-carboxylic acid for RNase H function of HIV-1 reverse transcriptase

(2010) Hiroshi Yanagita et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Structural Basis for the Inhibition of RNase H Activity of HIV-1 Reverse Transcriptase by RNase H Active Site-Directed Inhibitors

(2010) H.-P. Su et al.   JOURNAL OF VIROLOGY

RNase H Active Site Inhibitors of Human Immunodeficiency Virus Type 1 Reverse Transcriptase: Design, Biochemical Activity, and Structural Information

(2009) Thorsten A. Kirschberg et al.   JOURNAL OF MEDICINAL CHEMISTRY

Derivatives of 5-Nitro-furan-2-carboxylic Acid Carbamoylmethyl Ester Inhibit RNase H Activity Associated with HIV-1 Reverse Transcriptase

(2009) Hideyoshi Fuji et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure of HIV-1 Reverse Transcriptase with the Inhibitor β-Thujaplicinol Bound at the RNase H Active Site

(2009) Daniel M. Himmel et al.   STRUCTURE

Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design

(2008) Joseph D. Bauman et al.   NUCLEIC ACIDS RESEARCH

Structural basis for drug resistance mechanisms for non-nucleoside inhibitors of HIV reverse transcriptase

(2008) Jingshan Ren et al.   VIRUS RESEARCH