John L. Klepeis - Publications, H-index & Citations

John L. Klepeis

united states department of energy (doe)

32H指数

80论文数

1.6W被引数

收录论文 23

发表时间

Accurate parameterization of the kinetic energy functional for calculations using exact-exchange 使用精确交换进行计算的动能函数的精确参数化

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-01-11

OAAI

Kumar, Shashikant; Sadigh, Babak; Zhu, Siya; Suryanarayana, Phanish; Hamel, Sebastian; Gallagher, Brian; Bulatov, Vasily; Klepeis, John; Samanta, Amit

Improving the accuracy of Moller-Plesset perturbation theory with neural networks 用神经网络提高Moller-pleset摄动理论的精度

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-09-06

OAAI

McGibbon, Robert T.; Taube, Andrew G.; Donchev, Alexander G.; Siva, Karthik; Hernandez, Felipe; Hargus, Cory; Law, Ka-Hei; Klepeis, John L.; Shaw, David E.

Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations

CURRENT OPINION IN STRUCTURAL BIOLOGY

IF7

2014-02-01

439

OAAI

Piana, Stefano; Klepeis, John L.; Shaw, David E.

Improved side-chain torsion potentials for the Amber ff99SB protein force field 琥珀ff99SB蛋白质力场的改进的侧链扭转势

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2010-04-05

4.9K

OAAI

Lindorff-Larsen, Kresten; Piana, Stefano; Palmo, Kim; Maragakis, Paul; Klepeis, John L.; Dror, Ron O.; shaw, David E.

Long-timescale molecular dynamics simulations of protein structure and function

CURRENT OPINION IN STRUCTURAL BIOLOGY

IF7

2009-04-01

732

PREAI

Klepeis, John L.; Lindorff-Larsen, Kresten; Dror, Ron O.; Shaw, David E.

Anton, a special-purpose machine for molecular dynamics simulation

COMMUNICATIONS OF THE ACM

IF12.2

2008-07-01

754

OAAI

Shaw, David E.; Deneroff, Martin M.; Dror, Ron O.; Kuskin, Jeffrey S.; Larson, Richard H.; Salmon, John K.; Young, Cliff; Batson, Brannon; Bowers, Kevin J.; Chao, Jack C.; Eastwood, Michael P.; Gagliardo, Joseph; Grossman, J. P.; Ho, C. Richard; Ierardi, Douglas J.; Kolossvary, Istvan; Klepeis, John L.; Layman, Timothy; Mcleavey, Christine; Moraes, Mark A.; Mueller, Rolf; Priest, Edward C.; Shan, Yibing; Spengler, Jochen; Theobald, Michael; Towles, Brian; Wang, Stanley C.

A common, avoidable source of error in molecular dynamics integrators

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2007-01-29

OAAI

Lippert, Ross A.; Bowers, Kevin J.; Dror, Ron O.; Eastwood, Michael P.; Gregersen, Brent A.; Klepeis, John L.; Kolossvary, Istvan; Shaw, David E.

Novel approach for α-helical topology prediction in globular proteins:: Generation of interhelical restraints

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2006-10-06

PREAI

McAllister, S. R.; Mickus, B. E.; Klepeis, J. L.; Floudas, C. A.