Molecular Dynamics Simulations of Wild Type and Mutants of SAPAP in Complexed with Shank3

Identification of a cellularly active SIRT6 allosteric activator

(2018) Zhimin Huang et al.   Nature Chemical Biology

Peptidomimetic inhibitors of APC–Asef interaction block colorectal cancer migration

(2017) Haiming Jiang et al.   Nature Chemical Biology

A binding site outside the canonical PDZ domain determines the specific interaction between Shank and SAPAP and their function

(2016) Menglong Zeng et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Exploring the molecular basis of RNA recognition by the dimeric RNA-binding protein via molecular simulation methods

(2016) Shan Chang et al.   RNA Biology

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

Autism-associated gene Dlgap2 mutant mice demonstrate exacerbated aggressive behaviors and orbitofrontal cortex deficits

(2014) Li-Feng Jiang-Xie et al.   Molecular Autism

Structures and target recognition modes of PDZ domains: recurring themes and emerging pictures

(2013) Fei Ye et al.   BIOCHEMICAL JOURNAL

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

SHANK3 overexpression causes manic-like behaviour with unique pharmacogenetic properties

(2013) Kihoon Han et al.   NATURE

Molecular Dynamics Simulations of DNA-Free and DNA-Bound TAL Effectors

(2013) Hua Wan et al.   PLoS One

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

The structural flexibility of the shank1 PDZ domain is important for its binding to different ligands

(2011) Jun Hyuck Lee et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Synaptic dysfunction and abnormal behaviors in mice lacking major isoforms of Shank3

(2011) Xiaoming Wang et al.   HUMAN MOLECULAR GENETICS

Shank3 mutant mice display autistic-like behaviours and striatal dysfunction

(2011) João Peça et al.   NATURE

Virtual screening using molecular simulations

(2011) Tianyi Yang et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

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

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

Relation between Free Energy Landscapes of Proteins and Dynamics

(2010) Gia G. Maisuradze et al.   Journal of Chemical Theory and Computation

Structural Basis for Asymmetric Association of the βPIX Coiled Coil and Shank PDZ

(2010) Young Jun Im et al.   JOURNAL OF MOLECULAR BIOLOGY

Novel de novo SHANK3 mutation in autistic patients

(2008) Julie Gauthier et al.   AMERICAN JOURNAL OF MEDICAL GENETICS PART B-NEUROPSYCHIATRIC GENETICS

Copy-number variations associated with neuropsychiatric conditions

(2008) Edwin H. Cook Jr et al.   NATURE