Literature DB >> 9948888

Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation.

.   

Abstract

Year:  1989        PMID： 9948888     DOI： 10.1103/physrevb.39.4997

Source DB:  PubMed          Journal:  Phys Rev B Condens Matter        ISSN： 0163-1829


× No keyword cloud information.
  8 in total

1.  A joint effort with lasting impact.

Authors:  Jürgen Hafner
Journal:  Nat Mater       Date:  2010-09       Impact factor: 43.841

2.  Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs).

Authors:  Narayan Ganesan; Brad A Bauer; Timothy R Lucas; Sandeep Patel; Michela Taufer
Journal:  J Comput Chem       Date:  2011-07-26       Impact factor: 3.376

3.  Drug discovery using chemical systems biology: weak inhibition of multiple kinases may contribute to the anti-cancer effect of nelfinavir.

Authors:  Li Xie; Thomas Evangelidis; Lei Xie; Philip E Bourne
Journal:  PLoS Comput Biol       Date:  2011-04-28       Impact factor: 4.475

4.  Anti-prion activity of a panel of aromatic chemical compounds: in vitro and in silico approaches.

Authors:  Natalia C Ferreira; Icaro A Marques; Wesley A Conceição; Bruno Macedo; Clarice S Machado; Alessandra Mascarello; Louise Domeneghini Chiaradia-Delatorre; Rosendo Augusto Yunes; Ricardo José Nunes; Andrew G Hughson; Lynne D Raymond; Pedro G Pascutti; Byron Caughey; Yraima Cordeiro
Journal:  PLoS One       Date:  2014-01-06       Impact factor: 3.240

5.  Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.

Authors:  Vasantha Basavalingappa; Santu Bera; Bin Xue; Joseph O'Donnell; Sarah Guerin; Pierre-Andre Cazade; Hui Yuan; Ehtsham Ul Haq; Christophe Silien; Kai Tao; Linda J W Shimon; Syed A M Tofail; Damien Thompson; Sofiya Kolusheva; Rusen Yang; Yi Cao; Ehud Gazit
Journal:  ACS Nano       Date:  2020-05-29       Impact factor: 15.881

6.  In silico mutational analysis and identification of stability centers in human interleukin-4.

Authors:  Sandeep Saini; Chander Jyoti-Thakur; Varinder Kumar; Akshay Suhag; Niharika Jakhar
Journal:  Mol Biol Res Commun       Date:  2018-06

7.  Tuning methane decomposition on stepped Ni surface: The role of subsurface atoms in catalyst design.

Authors:  Ryan Lacdao Arevalo; Susan Meñez Aspera; Mary Clare Sison Escaño; Hiroshi Nakanishi; Hideaki Kasai
Journal:  Sci Rep       Date:  2017-10-25       Impact factor: 4.379

8.  The Q61H mutation decouples KRAS from upstream regulation and renders cancer cells resistant to SHP2 inhibitors.

Authors:  Teklab Gebregiworgis; Yoshihito Kano; Jonathan St-Germain; Nikolina Radulovich; Molly L Udaskin; Ahmet Mentes; Richard Huang; Betty P K Poon; Wenguang He; Ivette Valencia-Sama; Claire M Robinson; Melissa Huestis; Jinmin Miao; Jen Jen Yeh; Zhong-Yin Zhang; Meredith S Irwin; Jeffrey E Lee; Ming-Sound Tsao; Brian Raught; Christopher B Marshall; Michael Ohh; Mitsuhiko Ikura
Journal:  Nat Commun       Date:  2021-11-01       Impact factor: 17.694
  8 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.