Works matching IS 09618368 AND DT 2016 AND VI 25 AND IP 1

Results: 29

Erratum.

Published in:: Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 302, doi. 10.1002/pro.2846
Publication type:: Article

Covalent docking using autodock: Two-point attractor and flexible side chain methods.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 295, doi. 10.1002/pro.2733

By:

Bianco, Giulia;
Forli, Stefano;
Goodsell, David S.;
Olson, Arthur J.

Publication type:

Article

The loss of inhibitory C-terminal conformations in disease associated P123H β-synuclein.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 286, doi. 10.1002/pro.2798

By:

Janowska, Maria K.;
Baum, Jean

Publication type:

Article

Successful application of the DBLOC method to the hydroxylation of camphor by cytochrome p450.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 277, doi. 10.1002/pro.2819

By:

Jerome, Steven V.;
Hughes, Thomas F.;
Friesner, Richard A.

Publication type:

Article

Free energy landscape of a minimalist salt bridge model.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 270, doi. 10.1002/pro.2789

By:

Li, Xubin;
Lv, Chao;
Corbett, Karen M.;
Zheng, Lianqing;
Wu, Dongsheng;
Yang, Wei

Publication type:

Article

Electrostatics, structure prediction, and the energy landscapes for protein folding and binding.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 255, doi. 10.1002/pro.2751

By:

Tsai, Min‐Yeh;
Zheng, Weihua;
Balamurugan, D.;
Schafer, Nicholas P.;
Kim, Bobby L.;
Cheung, Margaret S.;
Wolynes, Peter G.

Publication type:

Article

Influence of diffusion on the kinetics of multisite phosphorylation.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 244, doi. 10.1002/pro.2722

By:

Gopich, Irina V.;
Szabo, Attila

Publication type:

Article

Computational scheme for pH-dependent binding free energy calculation with explicit solvent.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 231, doi. 10.1002/pro.2755

By:

Lee, Juyong;
Miller, Benjamin T.;
Brooks, Bernard R.

Publication type:

Article

Computational study of the W260A activating mutant of Src tyrosine kinase.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 219, doi. 10.1002/pro.2731

By:

Meng, Yilin;
Roux, Benoît

Publication type:

Article

Evaluating the dynamics and electrostatic interactions of folded proteins in implicit solvents.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 204, doi. 10.1002/pro.2753

By:

Hua, Duy P.;
Huang, He;
Roy, Amitava;
Post, Carol Beth

Publication type:

Article

Conformational transition paths harbor structures useful for aiding drug discovery and understanding enzymatic mechanisms in protein kinases.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 192, doi. 10.1002/pro.2716

By:

Wong, Chung F.

Publication type:

Article

A comparison of pathway-independent and pathway-dependent methods in the calculation of conformational free enthalpy differences.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 184, doi. 10.1002/pro.2695

By:

Lin, Zhixiong;
Gunsteren, Wilfred F.

Publication type:

Article

Protonation states and catalysis: Molecular dynamics studies of intermediates in tryptophan synthase.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 166, doi. 10.1002/pro.2709

By:

Huang, Yu‐ming M.;
You, Wanli;
Caulkins, Bethany G.;
Dunn, Michael F.;
Mueller, Leonard J.;
Chang, Chia‐en A.

Publication type:

Article

A hybrid method for protein-protein interface prediction.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 159, doi. 10.1002/pro.2744

By:

Hwang, Howook;
Petrey, Donald;
Honig, Barry

Publication type:

Article

A 3D-RISM/RISM study of the oseltamivir binding efficiency with the wild-type and resistance-associated mutant forms of the viral influenza B neuraminidase.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 147, doi. 10.1002/pro.2718

By:

Phanich, Jiraphorn;
Rungrotmongkol, Thanyada;
Sindhikara, Daniel;
Phongphanphanee, Saree;
Yoshida, Norio;
Hirata, Fumio;
Kungwan, Nawee;
Hannongbua, Supot

Publication type:

Article

Comprehensive analysis of sequences of a protein switch.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 135, doi. 10.1002/pro.2723

By:

Chen, Szu‐Hua;
Meller, Jaroslaw;
Elber, Ron

Publication type:

Article

Extracting intrinsic dynamic parameters of biomolecular folding from single-molecule force spectroscopy experiments.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 123, doi. 10.1002/pro.2727

By:

Nam, Gi‐Moon;
Makarov, Dmitrii E.

Publication type:

Article

Constructing sequence-dependent protein models using coevolutionary information.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 111, doi. 10.1002/pro.2758

By:

Cheng, Ryan R.;
Raghunathan, Mohit;
Noel, Jeffrey K.;
Onuchic, José N.

Publication type:

Article

Protein collapse driven against solvation free energy without H-bonds.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 103, doi. 10.1002/pro.2749

By:

Karandur, Deepti;
Harris, Robert C.;
Pettitt, B. Montgomery

Publication type:

Article

Molecular dynamics simulation of triclinic lysozyme in a crystal lattice.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 87, doi. 10.1002/pro.2713

By:

Janowski, Pawel A.;
Liu, Chunmei;
Deckman, Jason;
Case, David A.

Publication type:

Article

Substrate channeling between the human dihydrofolate reductase and thymidylate synthase.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 79, doi. 10.1002/pro.2720

By:

Wang, Nuo;
McCammon, J. Andrew

Publication type:

Article

Estimating first-passage time distributions from weighted ensemble simulations and non-Markovian analyses.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 67, doi. 10.1002/pro.2738

By:

Suárez, Ernesto;
Pratt, Adam J.;
Chong, Lillian T.;
Zuckerman, Daniel M.

Publication type:

Article

Correlation analysis for heat denaturation of Trp-cage miniprotein with explicit solvent.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 56, doi. 10.1002/pro.2754

By:

Kamo, Fumitaka;
Ishizuka, Ryosuke;
Matubayasi, Nobuyuki

Publication type:

Article

Structure of HIV-1 reverse transcriptase bound to a novel 38-mer hairpin template-primer DNA aptamer.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 46, doi. 10.1002/pro.2776

By:

Miller, Matthew T.;
Tuske, Steve;
Das, Kalyan;
DeStefano, Jeffrey J.;
Arnold, Eddy

Publication type:

Article

A community resource of experimental data for NMR / X-ray crystal structure pairs.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 30, doi. 10.1002/pro.2774

By:

Everett, John K.;
Tejero, Roberto;
Murthy, Sarath B. K.;
Acton, Thomas B.;
Aramini, James M.;
Baran, Michael C.;
Benach, Jordi;
Cort, John R.;
Eletsky, Alexander;
Forouhar, Farhad;
Guan, Rongjin;
Kuzin, Alexandre P.;
Lee, Hsiau‐Wei;
Liu, Gaohua;
Mani, Rajeswari;
Mao, Binchen;
Mills, Jeffrey L.;
Montelione, Alexander F.;
Pederson, Kari;
Powers, Robert

Publication type:

Article

Assessment of the utility of contact-based restraints in accelerating the prediction of protein structure using molecular dynamics simulations.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 19, doi. 10.1002/pro.2770

By:

Raval, Alpan;
Piana, Stefano;
Eastwood, Michael P.;
Shaw, David E.

Publication type:

Article

Protein dynamics and the all-ferrous [Fe<sub>4</sub>S<sub>4</sub>] cluster in the nitrogenase iron protein.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 12, doi. 10.1002/pro.2772

By:

Tan, Ming‐Liang;
Perrin, B. Scott;
Niu, Shuqiang;
Huang, Qi;
Ichiye, Toshiko

Publication type:

Article

Recollection.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 9, doi. 10.1002/pro.2844

By:

Levy, Ronald M.

Publication type:

Article

EDITORIAL.

Published in:

Protein Science: A Publication of the Protein Society, 2016, v. 25, n. 1, p. 5, doi. 10.1002/pro.2851

By:

Post, Carol B.;
Brooks, Charles L.

Publication type:

Article