Related references
Note: Only part of the references are listed.Predicting cryptic ligand binding sites based on normal modes guided conformational sampling
Wenjun Zheng
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2021)
PASSer: prediction of allosteric sites server
Hao Tian et al.
MACHINE LEARNING-SCIENCE AND TECHNOLOGY (2021)
Investigating Cryptic Binding Sites by Molecular Dynamics Simulations
Antonija Kuzmanic et al.
ACCOUNTS OF CHEMICAL RESEARCH (2020)
Essential site scanning analysis: A new approach for detecting sites that modulate the dispersion of protein global motions
Burak T. Kaynak et al.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (2020)
Cryptic binding sites on proteins: definition, detection, and druggability
Sandor Vajda et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2018)
Exploring the structural origins of cryptic sites on proteins
Dmitri Beglov et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
A survey of coarse-grained methods for modeling protein conformational transitions
Wenjun Zheng et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2017)
CryptoSite: Expanding the Druggable Proteome by Characterization and Prediction of Cryptic Binding Sites
Peter Cimermancic et al.
JOURNAL OF MOLECULAR BIOLOGY (2016)
Allostery: An Overview of Its History, Concepts, Methods, and Applications
Jin Liu et al.
PLOS COMPUTATIONAL BIOLOGY (2016)
Allostery in Disease and in Drug Discovery
Ruth Nussinov et al.
CELL (2013)
Activation and allosteric modulation of a muscarinic acetylcholine receptor
Andrew C. Kruse et al.
NATURE (2013)
ATP-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the GroEL Chaperonin
Daniel K. Clare et al.
CELL (2012)
On the Applicability of Elastic Network Normal Modes in Small-Molecule Docking
Matthias Dietzen et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Coarse-grained modeling of the structural states and transition underlying the powerstroke of dynein motor domain
Wenjun Zheng
JOURNAL OF CHEMICAL PHYSICS (2012)
Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist
Kazuko Haga et al.
NATURE (2012)
Structure-based model of allostery predicts coupling between distant sites
Patrick Weinkam et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
ProDy: Protein Dynamics Inferred from Theory and Experiments
Ahmet Bakan et al.
BIOINFORMATICS (2011)
Mechanism and Specificity of Pentachloropseudilin-mediated Inhibition of Myosin Motor Activity
Krishna Chinthalapudi et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2011)
Inhibition of Myosin ATPase Activity by Halogenated Pseudilins: A Structure-Activity Study
Matthias Preller et al.
JOURNAL OF MEDICINAL CHEMISTRY (2011)
Allo-network drugs: harnessing allostery in cellular networks
Ruth Nussinov et al.
TRENDS IN PHARMACOLOGICAL SCIENCES (2011)
Decrypting the Sequence of Structural Events during the Gating Transition of Pentameric Ligand-Gated Ion Channels Based on an Interpolated Elastic Network Model
Wenjun Zheng et al.
PLOS COMPUTATIONAL BIOLOGY (2011)
Large-scale comparison of protein essential dynamics from molecular dynamics simulations and coarse-grained normal mode analyses
Aqeel Ahmed et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2010)
Fpocket: An open source platform for ligand pocket detection
Vincent Le Guilloux et al.
BMC BIOINFORMATICS (2009)
Allosteric Transitions in Biological Nanomachines are Described by Robust Normal Modes of Elastic Networks
Wenjun Zheng et al.
CURRENT PROTEIN & PEPTIDE SCIENCE (2009)
Distinct Structural Features of Cyclothiazide Are Responsible for Effects on Peak Current Amplitude and Desensitization Kinetics at iGluR2
Helle Hald et al.
JOURNAL OF MOLECULAR BIOLOGY (2009)
The mechanism of pentabromopseudilin inhibition of myosin motor activity
Roman Fedorov et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2009)
Fast procedure for reconstruction of full-atom protein models from reduced representations
Piotr Rotkiewicz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design
Cristina Lucas-Lopez et al.
ORGANIC & BIOMOLECULAR CHEMISTRY (2008)
Allosteric transitions in the chaperonin GroEL are captured by a dominant normal mode that is most robust to sequence variations
Wenjun Zheng et al.
BIOPHYSICAL JOURNAL (2007)
Muscarinic acetylcholine receptors: mutant mice provide new insights for drug development
Juergen Wess et al.
NATURE REVIEWS DRUG DISCOVERY (2007)
Low-frequency normal modes that describe allosteric transitions in biological nanomachines are robust to sequence variations
WJ Zheng et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Can conformational change be described by only a few normal modes?
P Petrone et al.
BIOPHYSICAL JOURNAL (2006)
Probing the local dynamics of nucleotide-binding pocket coupled to the global dynamics: Myosin versus kinesin
WJ Zheng et al.
BIOPHYSICAL JOURNAL (2005)
The structural basis of blebbistatin inhibition and specificity for myosin II
JS Allingham et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2005)
Identification of dynamical correlations within the myosin motor domain by the normal mode analysis of an elastic network model
WJ Zheng et al.
JOURNAL OF MOLECULAR BIOLOGY (2005)
Searching for new allosteric sites in enzymes
JA Hardy et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2004)
A comparative study of motor-protein motions by using a simple elastic-network model
WJ Zheng et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2003)
Structure/activity relationships of M2 muscarinic allosteric modulators
K Mohr et al.
RECEPTORS & CHANNELS (2003)
Normal mode analysis of macromolecular motions in a database framework: Developing mode concentration as a useful classifying statistic
WG Krebs et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2002)
Conformational change of proteins arising from normal mode calculations
F Tama et al.
PROTEIN ENGINEERING (2001)
Share Paper
