Tinker 8: software tools for molecular design

JA Rackers, Z Wang, C Lu, ML Laury… - Journal of chemical …, 2018 - ACS Publications
The Tinker software, currently released as version 8, is a modular molecular mechanics and
dynamics package written primarily in a standard, easily portable dialect of Fortran 95 with …

Euclidean distance matrices: essential theory, algorithms, and applications

I Dokmanic, R Parhizkar, J Ranieri… - IEEE Signal Processing …, 2015 - ieeexplore.ieee.org
Euclidean distance matrices (EDMs) are matrices of the squared distances between points.
The definition is deceivingly simple; thanks to their many useful properties, they have found …

[图书][B] Encyclopedia of distances

E Deza, MM Deza, MM Deza, E Deza - 2009 - Springer
Encyclopedia of Distances is the result of re-writing and extending our Dictionary of
Distances published in 2006 (and put online http://www. sciencedirect. com/science/book …

Euclidean distance geometry and applications

L Liberti, C Lavor, N Maculan, A Mucherino - SIAM review, 2014 - SIAM
Euclidean distance geometry is the study of Euclidean geometry based on the concept of
distance. This is useful in several applications where the input data consist of an incomplete …

Bioinformatics and biosimulations as toolbox for peptides and peptidomimetics design: where are we?

I D'Annessa, FS Di Leva, A La Teana… - Frontiers in Molecular …, 2020 - frontiersin.org
Peptides and peptidomimetics are strongly re-emerging as amenable candidates in the
development of therapeutic strategies against a plethora of pathologies. In particular, these …

Technique, results, and complications related to robot-assisted stereoelectroencephalography

J González-Martínez, J Bulacio, S Thompson… - …, 2016 - journals.lww.com
BACKGROUND: Robot-assisted stereoelectroencephalography (SEEG) may represent a
simplified, precise, and safe alternative to the more traditional SEEG techniques …

[图书][B] Global optimization: theory, algorithms, and applications

M Locatelli, F Schoen - 2013 - SIAM
The first systematic overviews on global optimization appeared in 1975–1978 thanks to two
fundamental volumes titled Towards Global Optimization (Dixon & Szegö, 1975, 1978). At …

Identifying charging zones to allocate public charging stations for electric vehicles

FJ Faustino, JC Lopes, JD Melo, T Sousa… - Energy, 2023 - Elsevier
In recent years, several techniques have been presented in the specialized literature to
identify the best location for installing public charging stations, considering the demand for …

Recent advances on the interval distance geometry problem

DS Gonçalves, A Mucherino, C Lavor… - Journal of Global …, 2017 - Springer
We discuss a discretization-based solution approach for a classic problem in global
optimization, namely the distance geometry problem (DGP). We focus our attention on a …

[图书][B] Euclidean distance geometry

L Liberti, C Lavor - 2017 - Springer
What do clocks, wireless devices, atoms, and submarines have in common? They move: the
clocks move time forward (so to speak), wireless devices usually move on a plane (like an …