Energetic and structural insights behind calcium induced conformational transition in calmodulin

Calmodulin Mutations in Human Disease

(2023) John W. Hussey et al.   Channels

Perspective: How Fast Dynamics Affect Slow Function in Protein Machines

(2023) Gilad Haran et al.   Journal of Physical Chemistry B

Unbinding ligands from SARS-CoV-2 Mpro via umbrella sampling simulations

(2022) Nguyen Minh Tam et al.   Royal Society Open Science

Fast and Effective Prediction of the Absolute Binding Free Energies of Covalent Inhibitors of SARS-CoV-2 Main Protease and 20S Proteasome

(2022) Jiao Zhou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Analyzing the Reaction of Orotidine 5′-Phosphate Decarboxylase as a Way to Examine Some Key Catalytic Proposals

(2022) Mojgan Asadi et al.   Journal of the American Chemical Society

Calmodulin Interactions with Voltage-Gated Sodium Channels

(2021) Xin Wu et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Simulating the directional translocation of a substrate by the AAA+ motor in the 26S proteasome

(2021) Arjun Saha et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Coarse-Grained Modeling and Molecular Dynamics Simulations of Ca2+-Calmodulin

(2021) Jules Nde et al.   Frontiers in Molecular Biosciences

The dynamic nature of the K-Ras/calmodulin complex can be altered by oncogenic mutations

(2021) Hazem Abdelkarim et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

The Role of Calmodulin in Tumor Cell Migration, Invasiveness, and Metastasis

(2020) Antonio Villalobo et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Structural Aspects and Prediction of Calmodulin-Binding Proteins

(2020) Corey Andrews et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Effect of Ca2+ on the promiscuous target-protein binding of calmodulin

(2018) Annie M. Westerlund et al.   PLoS Computational Biology

The X-ray structure of human calbindin-D28K: an improved model

(2018) James W. Noble et al.   Acta Crystallographica Section D-Structural Biology

Modulation of the Conformational Dynamics of Apo-Adenylate Kinase through a π–Cation Interaction

(2017) Ritaban Halder et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Calcium-dependent binding of Myc to calmodulin

(2016) Philipp Raffeiner et al.   Oncotarget

Refining the treatment of membrane proteins by coarse-grained models

(2015) Igor Vorobyov et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Structural and thermodynamic characterization of the recognition of the S100-binding peptides TRTK12 and p53 by calmodulin

(2014) Lucas N. Wafer et al.   PROTEIN SCIENCE

The many faces of calmodulin in cell proliferation, programmed cell death, autophagy, and cancer

(2013) Martin W. Berchtold et al.   BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR CELL RESEARCH

Exploring Transition Pathway and Free-Energy Profile of Large-Scale Protein Conformational Change by Combining Normal Mode Analysis and Umbrella Sampling Molecular Dynamics

(2013) Jinan Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

An effective Coarse-grained model for biological simulations: Recent refinements and validations

(2013) Spyridon Vicatos et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

FRET-FCS Detection of Intralobe Dynamics in Calmodulin

(2011) E. Shane Price et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Absolute binding free energy calculations: On the accuracy of computational scoring of protein-ligand interactions

(2010) Nidhi Singh et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Multiscale simulations of protein landscapes: Using coarse-grained models as reference potentials to full explicit models

(2009) Benjamin M. Messer et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Conformational changes of calmodulin upon Ca2+ binding studied with a microfluidic mixer

(2008) H. Y. Park et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Direct observation of fast protein conformational switching

(2008) H. Ishikawa et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA