Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent

Coarse-grained models for protein aggregation

(2011) Chun Wu et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Conformation of Polyalanine and Polyglycine Dications in the Gas Phase: Insight from Ion Mobility Spectrometry and Replica-Exchange Molecular Dynamics

(2010) Florian Albrieux et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Helix Formation in a Pentapeptide: Experiment and Force-field Dependent Dynamics

(2010) Wendy A. Hegefeld et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Coarse-Grained Potential Models for Phenyl-Based Molecules: I. Parametrization Using Experimental Data

(2010) Russell DeVane et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Coarse-Grained Model for Simulation of RNA Three-Dimensional Structures

(2010) Zhen Xia et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Current Status of the AMOEBA Polarizable Force Field

(2010) Jay W. Ponder et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Evidence, from Simulations, of a Single State with Residual Native Structure at the Thermal Denaturation Midpoint of a Small Globular Protein

(2010) Gia G. Maisuradze et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multiscale Coarse-Graining of the Protein Energy Landscape

(2010) Ronald D. Hills et al.   PLoS Computational Biology

TiReX: Replica-exchange molecular dynamics using Tinker

(2009) Evgeni S. Penev et al.   COMPUTER PHYSICS COMMUNICATIONS

Correlation of RNA Secondary Structure Statistics with Thermodynamic Stability and Applications to Folding

(2009) Johnny C. Wu et al.   JOURNAL OF MOLECULAR BIOLOGY

Are Current Molecular Dynamics Force Fields too Helical?

(2008) Robert B. Best et al.   BIOPHYSICAL JOURNAL

Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains

(2008) Mariusz Makowski et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A transferable coarse-grained model for hydrogen-bonding liquids

(2008) Pavel A. Golubkov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Solvent effects on the conformational transition of a model polyalanine peptide

(2004) Hung D. Nguyen et al.   PROTEIN SCIENCE