Perez A - Search Results

1

Molecular Simulations Identify Binding Poses and Approximate Affinities of Stapled α-Helical Peptides to MDM2 and MDMX.

Morrone JA, Perez A, Deng Q, Ha SN, Holloway MK, Sawyer TK, Sherborne BS, Brown FK, Dill KA. Morrone JA, et al. Among authors: perez a. J Chem Theory Comput. 2017 Feb 14;13(2):863-869. doi: 10.1021/acs.jctc.6b00978. Epub 2017 Jan 19. J Chem Theory Comput. 2017. PMID: 28042965

2

Assessment of protein structure refinement in CASP9.

MacCallum JL, Pérez A, Schnieders MJ, Hua L, Jacobson MP, Dill KA. MacCallum JL, et al. Among authors: perez a. Proteins. 2011;79 Suppl 10(Suppl 10):74-90. doi: 10.1002/prot.23131. Epub 2011 Aug 30. Proteins. 2011. PMID: 22069034 Free PMC article.

3

Computing the relative stabilities and the per-residue components in protein conformational changes.

Roy A, Perez A, Dill KA, Maccallum JL. Roy A, et al. Among authors: perez a. Structure. 2014 Jan 7;22(1):168-75. doi: 10.1016/j.str.2013.10.015. Epub 2013 Dec 5. Structure. 2014. PMID: 24316402 Free PMC article.

4

Extracting representative structures from protein conformational ensembles.

Perez A, Roy A, Kasavajhala K, Wagaman A, Dill KA, MacCallum JL. Perez A, et al. Proteins. 2014 Oct;82(10):2671-80. doi: 10.1002/prot.24633. Epub 2014 Jul 5. Proteins. 2014. PMID: 24975328

5

FlexE: Using elastic network models to compare models of protein structure.

Perez A, Yang Z, Bahar I, Dill KA, MacCallum JL. Perez A, et al. J Chem Theory Comput. 2012 Oct 9;8(10):3985-3991. doi: 10.1021/ct300148f. J Chem Theory Comput. 2012. PMID: 25530735 Free PMC article.

6

Determining protein structures by combining semireliable data with atomistic physical models by Bayesian inference.

MacCallum JL, Perez A, Dill KA. MacCallum JL, et al. Among authors: perez a. Proc Natl Acad Sci U S A. 2015 Jun 2;112(22):6985-90. doi: 10.1073/pnas.1506788112. Epub 2015 May 18. Proc Natl Acad Sci U S A. 2015. PMID: 26038552 Free PMC article.

7

Accelerating molecular simulations of proteins using Bayesian inference on weak information.

Perez A, MacCallum JL, Dill KA. Perez A, et al. Proc Natl Acad Sci U S A. 2015 Sep 22;112(38):11846-51. doi: 10.1073/pnas.1515561112. Epub 2015 Sep 8. Proc Natl Acad Sci U S A. 2015. PMID: 26351667 Free PMC article.

8

Grid-based backbone correction to the ff12SB protein force field for implicit-solvent simulations.

Perez A, MacCallum JL, Brini E, Simmerling C, Dill KA. Perez A, et al. J Chem Theory Comput. 2015 Oct 13;11(10):4770-9. doi: 10.1021/acs.jctc.5b00662. Epub 2015 Sep 17. J Chem Theory Comput. 2015. PMID: 26574266 Free PMC article.

9

Refinement of Generalized Born Implicit Solvation Parameters for Nucleic Acids and Their Complexes with Proteins.

Nguyen H, Pérez A, Bermeo S, Simmerling C. Nguyen H, et al. Among authors: perez a. J Chem Theory Comput. 2015 Aug 11;11(8):3714-28. doi: 10.1021/acs.jctc.5b00271. J Chem Theory Comput. 2015. PMID: 26574454 Free PMC article.

10

Constraint methods that accelerate free-energy simulations of biomolecules.

Perez A, MacCallum JL, Coutsias EA, Dill KA. Perez A, et al. J Chem Phys. 2015 Dec 28;143(24):243143. doi: 10.1063/1.4936911. J Chem Phys. 2015. PMID: 26723628 Free PMC article. Review.

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