Chris Neale

发表

Hydrophobic Gating of Ion Permeation in Magnesium Channel CorA

Pawel Pomorski, Régis Pomès, Nilmadhab Chakrabarti, 2015, PLoS Comput. Biol..

Molecular recognition and packing frustration in a helical protein

Hue Sun Chan, Régis Pomès, Chris Neale, 2017, PLoS Comput. Biol..

The RIT1 C-terminus associates with lipid bilayers via charge complementarity

Amy D. Migliori, Chris Neale, Lara A. Patel, 2021, Comput. Biol. Chem..

Machine-learning-based dynamic-importance sampling for adaptive multiscale simulations

Peer-Timo Bremer, Brian Van Essen, Gautham Dharuman, 2021, Nature Machine Intelligence.

Generalizable Coordination of Large Multiscale Workflows: Challenges and Learnings at Scale

Dong H. Ahn, Peer-Timo Bremer, Sara Kokkila Schumacher, 2021, SC21: International Conference for High Performance Computing, Networking, Storage and Analysis.

Capturing Phase Behavior of Ternary Lipid Mixtures with a Refined Martini Coarse-Grained Force Field.

Felice C Lightstone, Helgi I Ingólfsson, S Gnanakaran, 2018, Journal of chemical theory and computation.

Methionine 170 is an Environmentally Sensitive Membrane Anchor in the Disordered HVR of K-Ras4B.

Angel E García, Chris Neale, A. Garcia, 2018, The journal of physical chemistry. B.

Accelerating Convergence in Molecular Dynamics Simulations of Solutes in Lipid Membranes by Conducting a Random Walk along the Bilayer Normal.

Régis Pomès, Christopher A. Madill, Chris Neale, 2013, Journal of chemical theory and computation.

Statistical Convergence of Equilibrium Properties in Simulations of Molecular Solutes Embedded in Lipid Bilayers.

W F Drew Bennett, Régis Pomès, D Peter Tieleman, 2011, Journal of chemical theory and computation.

Molecular recognition of RAS/RAF complex at the membrane: Role of RAF cysteine-rich domain

Timothy Travers, S. Gnanakaran, Andrew G. Stephen, 2018, Scientific Reports.

A solution NMR approach to the measurement of amphiphile immersion depth and orientation in membrane model systems.

Régis Pomès, Chris Neale, R. Pomès, 2009, Journal of the American Chemical Society.

Improved structural characterizations of the drkN SH3 domain unfolded state suggest a compact ensemble with native-like and non-native structure.

Joseph A Marsh, Wing-Yiu Choy, Anna Y. Lee, 2007, Journal of molecular biology.

Computational approaches to the rational design of nanoemulsions, polymeric micelles, and dendrimers for drug delivery.

Christine Allen, Régis Pomès, Chris Neale, 2012, Nanomedicine : nanotechnology, biology, and medicine.