Hybrid 2D/3D-quantitative structure–activity relationship and modeling studies perspectives of pepstatin A analogs as cathepsin D inhibitors

Molecular Dynamics Simulations of Ligand-Induced Flap Conformational Changes in Cathepsin-D-A Comparative Study

(2016) Olayide A. Arodola et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

Accelerated molecular dynamics simulations of protein folding

(2015) Yinglong Miao et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations

(2014) Stefano Piana et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation

(2014) Yinglong Miao et al.   Journal of Chemical Theory and Computation

Infection and Cancer: Global Distribution and Burden of Diseases

(2014) Jin-Kyoung Oh et al.   Annals of Global Health

Breast cancer characteristics and HIV among 1,092 women in Soweto, South Africa

(2013) Herbert Cubasch et al.   BREAST CANCER RESEARCH AND TREATMENT

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

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

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

To milliseconds and beyond: challenges in the simulation of protein folding

(2012) Thomas J Lane et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

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

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

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

A million africans a year dying from cancer by 2030: What can cancer research and control offer to the continent?

(2011) Bakary S. Sylla et al.   INTERNATIONAL JOURNAL OF CANCER

Molecular Dynamics Simulation, Free Energy Calculation and Structure-Based 3D-QSAR Studies of B-RAF Kinase Inhibitors

(2011) Ying Yang et al.   Journal of Chemical Information and Modeling

Studying functional dynamics in bio-molecules using accelerated molecular dynamics

(2011) Phineus R. L. Markwick et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

HIV and cancer in Africa: mutual collaboration between HIV and cancer programs may provide timely research and public health data

(2011) Sam M Mbulaiteye et al.   Infectious Agents and Cancer

Cancer as a Cause of Death among People with AIDS in the United States

(2010) Edgar P. Simard et al.   CLINICAL INFECTIOUS DISEASES

Estimates of worldwide burden of cancer in 2008: GLOBOCAN 2008

(2010) Jacques Ferlay et al.   INTERNATIONAL JOURNAL OF CANCER

Primary Human Mammary Epithelial Cells Endocytose HIV-1 and Facilitate Viral Infection of CD4+T Lymphocytes

(2010) Stephanie M. Dorosko et al.   JOURNAL OF VIROLOGY

The Challenge of AIDS-Related Malignancies in Sub-Saharan Africa

(2010) Annie J. Sasco et al.   PLoS One

Changes in Cancer Mortality among HIV‐Infected Patients: The Mortalité 2005 Survey

(2009) Fabrice Bonnet et al.   CLINICAL INFECTIOUS DISEASES

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

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

Combined 3D-QSAR Modeling and Molecular Docking Study on Indolinone Derivatives as Inhibitors of 3-Phosphoinositide-Dependent Protein Kinase-1

(2008) Mohamed Diwan M. AbdulHameed et al.   Journal of Chemical Information and Modeling

Mechanisms of lysosomal proteases participating in cerebral ischemia-induced neuronal death

(2008) Ai-Ping Qin et al.   Neuroscience Bulletin

Cysteine cathepsin proteases as pharmacological targets in cancer

(2007) Carmela Palermo et al.   TRENDS IN PHARMACOLOGICAL SCIENCES