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5 results in Authors: Xavier Lucas

Theoretical and Computational Chemistry

Neural Network-Based Interatomic Potential for the Study of Thermal and Mechanical Properties of Siliceous Zeolites

Luca Brugnoli, Maxime Ducamp, François-Xavier Coudert

Version 2 posted 01 November 2024

318

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Biological and Medicinal Chemistry

Structure-Based Design of a Macrocyclic PROTAC

Andrea Testa, Scott J. Hughes, Xavier Lucas, Jane E. Wright, Alessio Ciulli

Version 2 posted 20 November 2019

2,281

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Organic Chemistry

Evolving Oxeto-Indolinic Polycycles from Indoles by Means of a Visible-Light [2+2] Heterocycloaddition Dearomatization Process

Javier Mateos, Alberto Vega-Peñaloza, Pietro Franceschi, Francesco Rigodanza, Philip Andreetta, Xavier Companyó, Giorgio Pelosi, Marcella Bonchio, Andrea Sartorel, Luca Dell'Amico

Version 1 posted 30 January 2020

663

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Theoretical and Computational Chemistry

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

Yudong Qiu, Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan, Trevor Gokey, Victoria T. Lim, Chaya Stern, Andrea Rizzi, Xavier Lucas, Bryon Tjanaka, Michael R. Shirts, Michael Gilson, John Chodera, Christopher I. Bayly, David Mobley, Lee-Ping Wang

Version 4 posted 09 August 2021

1,944

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1

Citations

Theoretical and Computational Chemistry

Collaborative assessment of molecular geometries and energies from the Open Force Field

Lorenzo D'Amore, David Hahn, David Dotson, Joshua Horton, Jamshed Anwar, Ian Craig, Thomas Fox, Alberto Gobbi, Sirish Kaushik Lakkaraju, Xavier Lucas, Katharina Meier, David Mobley, Arjun Narayanan, Christina Schindler, William Swope, Pieter in 't Veld, Jeffrey Wagner, Bai Xue, Gary Tresadern

Version 1 posted 04 November 2022

461

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