共 14 条
Beating the Millisecond Barrier in Molecular Dynamics Simulations
被引:16
作者:

不详
论文数: 0 引用数: 0
h-index: 0
机构:
关键词:
PATHWAYS;
PROTEINS;
BINDING;
D O I:
10.1016/j.bpj.2014.11.3477
中图分类号:
Q6 [生物物理学];
学科分类号:
071011 ;
摘要:
引用
收藏
页码:228 / 229
页数:2
相关论文
共 14 条
[1]
Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations
[J].
Buch, Ignasi
;
Giorgino, Toni
;
De Fabritiis, Gianni
.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
2011, 108 (25)
:10184-10189

Buch, Ignasi
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Pompeu Fabra, Computat Biochem & Biophys Lab, Barcelona 08003, Spain Univ Pompeu Fabra, Computat Biochem & Biophys Lab, Barcelona 08003, Spain

Giorgino, Toni
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Pompeu Fabra, Computat Biochem & Biophys Lab, Barcelona 08003, Spain Univ Pompeu Fabra, Computat Biochem & Biophys Lab, Barcelona 08003, Spain

De Fabritiis, Gianni
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Pompeu Fabra, Computat Biochem & Biophys Lab, Barcelona 08003, Spain Univ Pompeu Fabra, Computat Biochem & Biophys Lab, Barcelona 08003, Spain
[2]
On-the-Fly Learning and Sampling of Ligand Binding by High-Throughput Molecular Simulations
[J].
Doerr, S.
;
De Fabritiis, G.
.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION,
2014, 10 (05)
:2064-2069

Doerr, S.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Pompeu Fabra, Computat Biophys Lab GRIB IMIM, Barcelona 08003, Spain Univ Pompeu Fabra, Computat Biophys Lab GRIB IMIM, Barcelona 08003, Spain

De Fabritiis, G.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Pompeu Fabra, Computat Biophys Lab GRIB IMIM, Barcelona 08003, Spain Univ Pompeu Fabra, Computat Biophys Lab GRIB IMIM, Barcelona 08003, Spain
[3]
Adaptive single replica multiple state transition interface sampling
[J].
Du, Wei-Na
;
Bolhuis, Peter G.
.
JOURNAL OF CHEMICAL PHYSICS,
2013, 139 (04)

Du, Wei-Na
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Amsterdam, Van t Hoff Inst Mol Sci, Amsterdam, Netherlands Univ Amsterdam, Van t Hoff Inst Mol Sci, Amsterdam, Netherlands

Bolhuis, Peter G.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Amsterdam, Van t Hoff Inst Mol Sci, Amsterdam, Netherlands Univ Amsterdam, Van t Hoff Inst Mol Sci, Amsterdam, Netherlands
[4]
Equilibrium Kinetic Network of the Villin Headpiece in Implicit Solvent
[J].
Du, Weina
;
Bolhuis, Peter G.
.
BIOPHYSICAL JOURNAL,
2015, 108 (02)
:368-378

Du, Weina
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Amsterdam, vant Hoff Inst Mol Sci, Amsterdam, Netherlands Univ Amsterdam, vant Hoff Inst Mol Sci, Amsterdam, Netherlands

Bolhuis, Peter G.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Amsterdam, vant Hoff Inst Mol Sci, Amsterdam, Netherlands Univ Amsterdam, vant Hoff Inst Mol Sci, Amsterdam, Netherlands
[5]
Towards a theory of transition paths
[J].
E, Weinan
;
Vanden-Eijnden, Eric
.
JOURNAL OF STATISTICAL PHYSICS,
2006, 123 (03)
:503-523

E, Weinan
论文数: 0 引用数: 0
h-index: 0
机构:
Princeton Univ, Dept Math, Princeton, NJ 08544 USA Princeton Univ, Dept Math, Princeton, NJ 08544 USA

Vanden-Eijnden, Eric
论文数: 0 引用数: 0
h-index: 0
机构: Princeton Univ, Dept Math, Princeton, NJ 08544 USA
[6]
Heterogeneity even at the speed limit of folding: Large-scale molecular dynamics study of a fast-folding variant of the villin headpiece
[J].
Ensign, Daniel L.
;
Kasson, Peter M.
;
Pande, Vijay S.
.
JOURNAL OF MOLECULAR BIOLOGY,
2007, 374 (03)
:806-816

Ensign, Daniel L.
论文数: 0 引用数: 0
h-index: 0
机构:
Stanford Univ, Dept Chem, Stanford, CA 94305 USA Stanford Univ, Dept Chem, Stanford, CA 94305 USA

Kasson, Peter M.
论文数: 0 引用数: 0
h-index: 0
机构:
Stanford Univ, Dept Chem, Stanford, CA 94305 USA Stanford Univ, Dept Chem, Stanford, CA 94305 USA

Pande, Vijay S.
论文数: 0 引用数: 0
h-index: 0
机构:
Stanford Univ, Dept Chem, Stanford, CA 94305 USA Stanford Univ, Dept Chem, Stanford, CA 94305 USA
[7]
Ten-microsecond molecular dynamics simulation of a fast-folding WW domain
[J].
Freddolino, Peter L.
;
Liu, Feng
;
Gruebele, Martin
;
Schulten, Klaus
.
BIOPHYSICAL JOURNAL,
2008, 94 (10)
:L75-L77

Freddolino, Peter L.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Illinois, Beckman Inst, Urbana, IL 61801 USA
Univ Illinois, Ctr Biophys & Computat Biol, Urbana, IL 61801 USA Univ Illinois, Beckman Inst, Urbana, IL 61801 USA

Liu, Feng
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Illinois, Ctr Biophys & Computat Biol, Urbana, IL 61801 USA Univ Illinois, Beckman Inst, Urbana, IL 61801 USA

Gruebele, Martin
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Illinois, Beckman Inst, Urbana, IL 61801 USA
Univ Illinois, Ctr Biophys & Computat Biol, Urbana, IL 61801 USA
Univ Illinois, Dept Phys, Urbana, IL 61801 USA
Univ Illinois, Dept Chem, Urbana, IL 61801 USA Univ Illinois, Beckman Inst, Urbana, IL 61801 USA

Schulten, Klaus
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Illinois, Beckman Inst, Urbana, IL 61801 USA
Univ Illinois, Dept Phys, Urbana, IL 61801 USA Univ Illinois, Beckman Inst, Urbana, IL 61801 USA
[8]
Kinetic characterization of the critical step in HIV-1 protease maturation
[J].
Kashif Sadiq, S.
;
Noe, Frank
;
De Fabritiis, Gianni
.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,
2012, 109 (50)
:20449-20454

Kashif Sadiq, S.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Pompeu Fabra, GRIB IMIM, Computat Biophys Lab, Barcelona 08003, Spain Univ Pompeu Fabra, GRIB IMIM, Computat Biophys Lab, Barcelona 08003, Spain

Noe, Frank
论文数: 0 引用数: 0
h-index: 0
机构:
Free Univ Berlin, Res Ctr Matheon, D-14195 Berlin, Germany Univ Pompeu Fabra, GRIB IMIM, Computat Biophys Lab, Barcelona 08003, Spain

De Fabritiis, Gianni
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Pompeu Fabra, GRIB IMIM, Computat Biophys Lab, Barcelona 08003, Spain Univ Pompeu Fabra, GRIB IMIM, Computat Biophys Lab, Barcelona 08003, Spain
[9]
How Fast-Folding Proteins Fold
[J].
Lindorff-Larsen, Kresten
;
Piana, Stefano
;
Dror, Ron O.
;
Shaw, David E.
.
SCIENCE,
2011, 334 (6055)
:517-520

Lindorff-Larsen, Kresten
论文数: 0 引用数: 0
h-index: 0
机构:
DE Shaw Res, New York, NY 10036 USA DE Shaw Res, New York, NY 10036 USA

Piana, Stefano
论文数: 0 引用数: 0
h-index: 0
机构:
DE Shaw Res, New York, NY 10036 USA DE Shaw Res, New York, NY 10036 USA

Dror, Ron O.
论文数: 0 引用数: 0
h-index: 0
机构:
DE Shaw Res, New York, NY 10036 USA DE Shaw Res, New York, NY 10036 USA

Shaw, David E.
论文数: 0 引用数: 0
h-index: 0
机构:
DE Shaw Res, New York, NY 10036 USA
Columbia Univ, Ctr Computat Biol & Bioinformat, New York, NY 10032 USA DE Shaw Res, New York, NY 10036 USA
[10]
Computing best transition pathways in high-dimensional dynamical systems:: Application to the αL ⇆ β ⇆ αR transitions in octaalanine
[J].
Noe, Frank
;
Oswald, Marcus
;
Reinelt, Gerhard
;
Fischer, Stefan
;
Smith, Jeremy C.
.
MULTISCALE MODELING & SIMULATION,
2006, 5 (02)
:393-419

Noe, Frank
论文数: 0 引用数: 0
h-index: 0
机构: Heidelberg Univ, IWR, Computat Biochem Grp, D-69120 Heidelberg, Germany

Oswald, Marcus
论文数: 0 引用数: 0
h-index: 0
机构: Heidelberg Univ, IWR, Computat Biochem Grp, D-69120 Heidelberg, Germany

Reinelt, Gerhard
论文数: 0 引用数: 0
h-index: 0
机构: Heidelberg Univ, IWR, Computat Biochem Grp, D-69120 Heidelberg, Germany

Fischer, Stefan
论文数: 0 引用数: 0
h-index: 0
机构: Heidelberg Univ, IWR, Computat Biochem Grp, D-69120 Heidelberg, Germany

Smith, Jeremy C.
论文数: 0 引用数: 0
h-index: 0
机构: Heidelberg Univ, IWR, Computat Biochem Grp, D-69120 Heidelberg, Germany