Ken A. Dill - researchr alias

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Viewing Publication 1 - 28 from 28

2023

MELD-Bracket Ranks Binding Affinities of Diverse Sets of LigandsSridip Parui, James C. Robertson, Sandeep Somani, Gary Tresadern, Cong Liu, Ken A. Dill. jcisd, 63(9):2857-2865, May 2023. [doi]

2020

2019

Monte Carlo on the manifold and MD refinement for binding pose prediction of protein-ligand complexes: 2017 D3R Grand ChallengeMikhail Ignatov, Cong Liu, Andrey Alekseenko, Zhuyezi Sun, Dzmitry Padhorny, Sergei Kotelnikov, Andrey M. Kazennov, Ivan Grebenkin, Yaroslav Kholodov, Istvan Kolosvari, Alberto Perez, Ken A. Dill, Dima Kozakov. jcamd, 33(1):119-127, 2019. [doi]

2016

Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 moleculesEmiliano Brini, S. Shanaka Paranahewage, Christopher J. Fennell, Ken A. Dill. jcamd, 30(11):1067-1077, 2016. [doi]

2015

Reply to C. Tsallis' "Conceptual Inadequacy of the Shore and Johnson Axioms for Wide Classes of Complex Systems"Steve Pressé, Kingshuk Ghosh, Julian Lee, Ken A. Dill. entropy, 17(7):5043-5046, 2015. [doi]

2014

Testing the semi-explicit assembly model of aqueous solvation in the SAMPL4 challengeLibo Li, Ken A. Dill, Christopher J. Fennell. jcamd, 28(3):259-264, 2014. [doi]

2012

Testing the semi-explicit assembly solvation model in the SAMPL3 community blind testCharles W. Kehoe, Christopher J. Fennell, Ken A. Dill. jcamd, 26(5):563-568, 2012. [doi]

2009

Predicting Peptide Structures in Native Proteins from Physical Simulations of FragmentsVincent A. Voelz, M. Scott Shell, Ken A. Dill. ploscb, 5(2), 2009. [doi]

2006

2005

Rotational superposition and least squares: The SVD and quaternions approaches yield identical results. Reply to the preceding comment by G. KnellerEvangelos A. Coutsias, Chaok Seok, Ken A. Dill. jcc, 26(15):1663-1665, 2005. [doi]

2004

A kinematic view of loop closureEvangelos A. Coutsias, Chaok Seok, Matthew P. Jacobson, Ken A. Dill. jcc, 25(4):510-528, 2004. [doi]

Using quaternions to calculate RMSDEvangelos A. Coutsias, Chaok Seok, Ken A. Dill. jcc, 25(15):1849-1857, 2004. [doi]

2003

2002

Using motion planning to map protein folding landscapes and analyze folding kinetics of known native structuresNancy M. Amato, Ken A. Dill, Guang Song. recomb 2002: 2-11 [doi]

The elastic net algorithm and protein structure predictionKeith D. Ball, Burak Erman, Ken A. Dill. jcc, 23(1):77-83, 2002. [doi]

1999

Comparing search strategies for finding global optima on energy landscapesK. W. Foreman, Andrew T. Phillips, J. Ben Rosen, Ken A. Dill. jcc, 20(14):1527-1532, 1999. [doi]

1998

The Large Scale Parallelization of a Conformational 3D Protein Structure Prediction ApplicationPhilip F. LoCascio, Kaizhi Yue, Peter Cummings, Ken A. Dill. sc 1998: 40 [doi]

1997

Protein Structure and Energy Landscape Dependence on Sequence Using a Continuous Energy FunctionKen A. Dill, Andrew T. Phillips, J. Ben Rosen. jcb, 4(3):227-240, 1997.

Protein structure prediction and potential energy landscape analysis using continuous global minimizationKen A. Dill, Andrew T. Phillips, J. Ben Rosen. recomb 1997: 109-117 [doi]

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