Detalhe da pesquisa
1.
Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism.
Cell
; 179(5): 1098-1111.e23, 2019 11 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-31730852
2.
AMBERff at Scale: Multimillion-Atom Simulations with AMBER Force Fields in NAMD.
J Chem Inf Model
; 64(2): 543-554, 2024 Jan 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38176097
3.
Structural basis of co-translational quality control by ArfA and RF2 bound to ribosome.
Nature
; 541(7638): 554-557, 2017 01 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-28077875
4.
NAMD goes quantum: an integrative suite for hybrid simulations.
Nat Methods
; 15(5): 351-354, 2018 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-29578535
5.
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics.
Int J High Perform Comput Appl
; 35(5): 432-451, 2021 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-38603008
6.
Scalable molecular dynamics on CPU and GPU architectures with NAMD.
J Chem Phys
; 153(4): 044130, 2020 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-32752662
7.
Why Ubiquitin Has Not Evolved.
Int J Mol Sci
; 18(9)2017 Sep 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-28926941
8.
Atomic Detail Visualization of Photosynthetic Membranes with GPU-Accelerated Ray Tracing.
Parallel Comput
; 55: 17-27, 2016 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-27274603
9.
Generalized Scalable Multiple Copy Algorithms for Molecular Dynamics Simulations in NAMD.
Comput Phys Commun
; 185(3): 908-916, 2014 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-24944348
10.
A stringent test for hydrophobicity scales: two proteins with 88% sequence identity but different structure and function.
Proc Natl Acad Sci U S A
; 105(27): 9233-7, 2008 Jul 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-18591657
11.
Getting boozy in books: substance use in adolescent literature.
Health Commun
; 26(6): 512-5, 2011 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-21469003
12.
The challenges of theory-software translation.
F1000Res
; 9: 1192, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-33214878
13.
AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics.
bioRxiv
; 2020 Nov 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-33236007
14.
Why Aß42 Is Much More Toxic than Aß40.
ACS Chem Neurosci
; 10(6): 2843-2847, 2019 06 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-31042351
15.
Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.
J Chem Theory Comput
; 13(12): 5933-5944, 2017 Dec 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-29111720
16.
Revealing the Effect of Irradiation on Cement Hydrates: Evidence of a Topological Self-Organization.
ACS Appl Mater Interfaces
; 9(37): 32377-32385, 2017 Sep 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-28870068
17.
Early Experiences Porting the NAMD and VMD Molecular Simulation and Analysis Software to GPU-Accelerated OpenPOWER Platforms.
High Perform Comput (2016)
; 9945: 188-206, 2016 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-29202130
18.
Evaluation of Emerging Energy-Efficient Heterogeneous Computing Platforms for Biomolecular and Cellular Simulation Workloads.
IEEE Int Symp Parallel Distrib Process Workshops Phd Forum
; 2016: 89-100, 2016 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-27516922
19.
QwikMD - Integrative Molecular Dynamics Toolkit for Novices and Experts.
Sci Rep
; 6: 26536, 2016 05 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-27216779
20.
Multilevel summation method for electrostatic force evaluation.
J Chem Theory Comput
; 11(2): 766-79, 2015 Feb 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-25691833