Joseph D. Larkin - Publications, H-index & Citations

Joseph D. Larkin

national institutes of health (nih) - usa

14H指数

39论文数

613被引数

收录论文 9

发表时间

CIFDock: A novel CHARMM-based flexible receptor-flexible ligand docking protocol

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2021-11-06

PREAI

Vankayala, Sai L.; Warrensford, Luke C.; Pittman, Amanda R.; Pollard, Benjamin C.; Kearns, Fiona L.; Larkin, Joseph D.; Woodcock, H. Lee

Modeling Boronic Acid Based Fluorescent Saccharide Sensors: Computational Investigation of D-Fructose Binding to Dimethylaminomethylphenylboronic Acid

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2019-03-25

OAAI

Kearns, Fiona L.; Robart, Carrie; Kemp, M. Trent; Vankayala, Sai Lakshmana; Chapin, Brette M.; Anslyn, Eric V.; Woodcock, H. Lee; Larkin, Joseph D.

Disaggregation is a Mechanism for Emission Turn-On of ortho-Aminomethylphenylboronic Acid-Based Saccharide Sensors

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2017-04-11

PREAI

Chapin, Brette M.; Metola, Pedro; Vankayala, Sai Lakshmana; Woodcock, H. Lee; Mooibroek, Tiddo J.; Lynch, Vincent M.; Larkin, Joseph D.; Anslyn, Eric V.

Comparison of Three Chain-of-States Methods: Nudged Elastic Band and Replica Path with Restraints or Constraints

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2012-10-12

OAAI

Tao, Peng; Hodoscek, Milan; Larkin, Joseph D.; Shao, Yihan; Brooks, Bernard R.

Thermodynamics of Boroxine Formation from the Aliphatic Boronic Acid Monomers R-B(OH)2 (R = H, H3C, H2N, HO, and F): A Computational Investigation

JOURNAL OF PHYSICAL CHEMISTRY A

IF2.8

2011-06-08

OAAI

Bhat, Krishna L.; Markham, George D.; Larkin, Joseph D.; Bock, Charles W.

MSCALE: A General Utility for Multiscale Modeling

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2011-03-25

OAAI

Woodcock, H. Lee; Miller, Benjamin T.; Hodoscek, Milan; Okur, Asim; Larkin, Joseph D.; Ponder, Jay W.; Brooks, Bernard R.

Efficient Calculation of QM/MM Frequencies with the Mobile Block Hessian

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2011-01-06

OAAI

Ghysels, An; Woodcock, H. Lee, III; Larkin, Joseph D.; Miller, Benjamin T.; Shao, Yihan; Kong, Jing; Van Neck, Dimitri; Van Speybroeck, Veronique; Waroquier, Michel; Brooks, Bernard R.

Hydrogen bridging in the compounds X2H (X=Al, Si, P, S)

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2006-10-26

PREAI

Owens, Zachary T.; Larkin, Joseph D.; Schaefer, Henry F., III

The ability of silylenes to bind excess electrons:: Electron affinities of SiX2, and SiXY species (X,Y=H,CH3,SiH3,F,Cl,Br)

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2004-11-15

PREAI

Larkin, JD; Schaefer, HF

研究方向