An integrated molecular dynamics, principal component analysis and residue interaction network approach reveals the impact of M184V mutation on HIV reverse transcriptase resistance to lamivudine

Molecular mechanism of HIV-1 resistance to 3′-azido-2′,3′-dideoxyguanosine

(2013) Jeffrey D. Meteer et al.   ANTIVIRAL RESEARCH

Structural Comparison of the Wild-Type and Drug-Resistant Mutants of the Influenza A M2 Proton Channel by Molecular Dynamics Simulations

(2013) Ruo-Xu Gu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

In silico profiling and structural insights of missense mutations in RET protein kinase domain by molecular dynamics and docking approach

(2013) C. George Priya Doss et al.   Molecular BioSystems

Molecular dynamics study on the stability of wild-type and the R220K mutant of human prion protein

(2013) Xin Chen et al.   MOLECULAR SIMULATION

Comparison of the Molecular Dynamics and Calculated Binding Free Energies for Nine FDA-Approved HIV-1 PR Drugs Against Subtype B and C-SA HIV PR

(2012) Shaimaa M. Ahmed et al.   Chemical Biology & Drug Design

SPFP: Speed without compromise—A mixed precision model for GPU accelerated molecular dynamics simulations

(2012) Scott Le Grand et al.   COMPUTER PHYSICS COMMUNICATIONS

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

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

Molecular dynamics simulations of wild type and mutants of human complement receptor 2 complexed with C3d

(2012) Hua Wan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

RING: networking interacting residues, evolutionary information and energetics in protein structures

(2011) A. J. M. Martin et al.   BIOINFORMATICS

ProDy: Protein Dynamics Inferred from Theory and Experiments

(2011) A. Bakan et al.   BIOINFORMATICS

Analyzing and visualizing residue networks of protein structures

(2011) Nadezhda T. Doncheva et al.   TRENDS IN BIOCHEMICAL SCIENCES

Mutation D816V Alters the Internal Structure and Dynamics of c-KIT Receptor Cytoplasmic Region: Implications for Dimerization and Activation Mechanisms

(2011) Elodie Laine et al.   PLoS Computational Biology

Non-nucleoside reverse transcriptase inhibitors (NNRTIs), their discovery, development, and use in the treatment of HIV-1 infection: A review of the last 20 years (1989–2009)

(2009) Marie-Pierre de Béthune   ANTIVIRAL RESEARCH

Nucleoside and nucleotide HIV reverse transcriptase inhibitors: 25 years after zidovudine

(2009) Tomas Cihlar et al.   ANTIVIRAL RESEARCH

The development of antiretroviral therapy and its impact on the HIV-1/AIDS pandemic

(2009) Samuel Broder   ANTIVIRAL RESEARCH

An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware

(2009) M. J. Harvey et al.   Journal of Chemical Theory and Computation

Life-Threatening Clozapine-Induced Gastrointestinal Hypomotility

(2009) Susanna E. Palmer et al.   JOURNAL OF CLINICAL PSYCHIATRY