Comparison of Receptor–Ligand Restraint Schemes for Alchemical Absolute Binding Free Energy Calculations

por Clark, Finlay, Robb, Graeme, Cole, Daniel J., Michel, Julien
Publicado 2023

Enhanced Monte Carlo Sampling through Replica Exchange with Solute Tempering

por Cole, Daniel J., Tirado-Rives, Julian, Jorgensen, William L.
Publicado 2014

Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex

por Morgan, Sarah E., Cole, Daniel J., Chin, Alex W.
Publicado 2016

Neural bases of enhanced attentional control: Lessons from action video game players

por Föcker, Julia, Cole, Daniel, Beer, Anton L., Bavelier, Daphne
Publicado 2018

Vegetative and verrucous plaques in an immunosuppressed patient: Blastomycosis-like pyoderma

por Cole, Daniel W., Huerta, Tomas, Tejasvi, Trilokraj, Lowe, Lori
Publicado 2020

Purpuric Plaques—Dermoscopic and Histopathological Correlation of Cutaneous Angiosarcoma

por Cole, Daniel W., Huerta, Tomas, Andea, Aleodor, Tejasvi, Trilokraj
Publicado 2020

Label-Free Single-Molecule Imaging with Numerical-Aperture-Shaped Interferometric Scattering Microscopy

por Cole, Daniel, Young, Gavin, Weigel, Alexander, Sebesta, Aleksandar, Kukura, Philipp
Publicado 2017

Residue Geometry Networks: A Rigidity-Based Approach to the Amino Acid Network and Evolutionary Rate Analysis

por Fokas, Alexander S., Cole, Daniel J., Ahnert, Sebastian E., Chin, Alex W.
Publicado 2016

Corrigendum: Residue Geometry Networks: A Rigidity-Based Approach to the Amino Acid Network and Evolutionary Rate Analysis

por Fokas, Alexander S., Cole, Daniel J., Ahnert, Sebastian E., Chin, Alex W.
Publicado 2017

Psoriasis coxsackium

por Cole, Daniel W., Wang, Bo, Fullen, Douglas R., Helfrich, Yolanda R.
Publicado 2022

What is the Optimal Dipole Moment for Nonpolarizable Models of Liquids?

por Jorge, Miguel, Barrera, Maria Cecilia, Milne, Andrew W., Ringrose, Chris, Cole, Daniel J.
Publicado 2023

A transferable double exponential potential for condensed phase simulations of small molecules

por Horton, Joshua T., Boothroyd, Simon, Behara, Pavan Kumar, Mobley, David L., Cole, Daniel J.
Publicado 2023

Development and Validation of the Quantum Mechanical Bespoke Protein Force Field

por Allen, Alice E. A., Robertson, Michael J., Payne, Michael C., Cole, Daniel J.
Publicado 2019

New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 1. Theory and accuracy

por Manz, Thomas A., Chen, Taoyi, Cole, Daniel J., Limas, Nidia Gabaldon, Fiszbein, Benjamin
Publicado 2019

Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning

por Lee, Louis P., Cole, Daniel J., Skylaris, Chris-Kriton, Jorgensen, William L., Payne, Mike C.
Publicado 2013

Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning

por Cole, Daniel J., Vilseck, Jonah Z., Tirado-Rives, Julian, Payne, Mike C., Jorgensen, William L.
Publicado 2016

Direct observation of the molecular mechanism underlying protein polymerization

por Hundt, Nikolas, Cole, Daniel, Hantke, Max F., Miller, Jack J., Struwe, Weston B., Kukura, Philipp
Publicado 2022

An open-source molecular builder and free energy preparation workflow

por Bieniek, Mateusz K., Cree, Ben, Pirie, Rachael, Horton, Joshua T., Tatum, Natalie J., Cole, Daniel J.
Publicado 2022

Longitudinal Effects of Metabolic Syndrome on Alzheimer and Vascular Related Brain Pathology

por Lin, Feng, Lo, Raymond Y., Cole, Daniel, Ducharme, Simon, Chen, Ding-Geng, Mapstone, Mark, Porsteinsson, Anton
Publicado 2014

Effects of a sport-based positive youth development program on youth life skills and entrepreneurial mindsets

por Malete, Leapetswe, McCole, Daniel, Tshube, Tshepang, Mphela, Thuso, Maro, Cyprian, Adamba, Clement, Machuve, Juliana, Ocansey, Reginald
Publicado 2022