Publications

Take a look at the most recent papers published by our team members.

2020

Dimerization of Dengue Virus E Subunits Impacts Antibody Function and Domain Focus

Journal of Virology, 31 Aug 2020

Thomas A, Thiono DJ, Kudlacek ST, Forsberg J, Premkumar L, Tian S, Kuhlman B, de Silva AM, Metz AW

Computational Stabilization of T Cell Receptors Allows Pairing with Antibodies to Form Bispecifics

Nature Communications, 11 May 2020

Froning K, Maguire J, Sereno A, Huang F, Chang S, Weichert K, Frommelt AJ, Dong J, Wu X, Austin H, Conner EM, Fitchett JR, Heng, AR, Balasubramaniam, Hilgers MT, Kuhlman B, Demarest SJ

The Emerging Role of Computational Design in Peptide Macrocycle Drug Discovery

Expert Opinion on Drug Discovery, 31 Mar 2020

Mulligan VK

2019

Designing Peptides on a Quantum Computer

bioRxiv, 2 Sep 2019

Mulligan VK, Melo H, Merritt HI, Slocum S, Weitzner BD, Watkins AM, Renfrew PD, Pelissier C, Arora PS, Bonneau R

De Novo Design of Bioactive Protein Switches

Nature, 24 Jul 2019

Langan RA, Boyken SE, Ng AH, Samson JA, Dods G, Westbrook AM, Nguyen TH, Lajoie MJ, Chen Z, Berger S, Mulligan VK, Dueber JE, Novak WRP, El-Samad H, Baker D

Focused Dengue Vaccine Development: Outwitting Nature's Design

Pathogens and Disease, 06 Feb 2019

Kudlacek ST, Metz SW

Transesterification of a Tertiary Alcohol by Engineered Candida Antarctica Lipase

ChemBioChem, 24 Jan 2019

Lofgren J, Gorbe T, Oschmann M, Humble MS, Backvall JE

Enantioselective Aminohydroxylation of Styrenyl Olefins Catalyzed by an Engineered Hemoprotein

Angewandte Chemie, 2 Jan 2019

Cho I, Prier CK, Jia ZJ, Zhang RK, Gorbe T, Arnold FH

2018

Programmable Design of Orthogonal Protein Heterodimers

Nature, 19 Dec 2018

Chen Z, Boyken SE, Jia M, Busch F, Flores-Solis D, Bick MJ, Lu P, VanAernum ZL, Sahasrabuddhe A, Langan RA, Bermeo S, Brunette TJ, Mulligan VK, Carter LP, DiMaio F, Sgourakis NG, Wysocki VH, Baker D

Physiological Temperatures Reduce Dimerization of Dengue and Zika Virus Recombinant Envelope Proteins

The Journal of Biological Chemistry, 8 Jun 2018

Kudlacek ST, Premkumar L, Metz SW, Tripathy A, Bobkov AA, Payne AM, Graham S, Brackbill JA, Miley MJ, de Silva AM, Kuhlman B

Rapid Sampling of Hydrogen Bond Networks for Computational Protein Design

Journal of Chemical Theory and Computation, 8 May 2018

Maguire JB, Boyken SE, Baker D, Kuhlman B

Accurate Computational Design of Multipass Transmembrane Proteins

Science, 2 Mar 2018

Lu P, Min D, DiMaio F, Wei KY, Vahey MD, Boyken SE, Chen Z, Fallas JA, Ueda G, Sheffler W, Mulligan VK, Xu W, Bowie JU, Baker D

2017

Comprehensive Computational Design of Ordered Peptide Macrocycles

Science, 15 Dec 2017

Hosseinzadeh P, Bhardwaj G, Mulligan VK, Shortridge MD, Craven TW, Pardo-Avila F, Rettie ST, Kim D, Silva DA, Ibrahim YM, Webb IK, Cort JR, Adkins JN, Varani G, Baker D

Improved Enantioselectivity of Subtilisin Carlsberg Towards Secondary Alcohols by Protein Engineering

ChemBioChem, 4 Nov 2017

Dorau R, Gorbe T, Humble MS

2016

Virus-Enabled Biosensor for Human Serum Albumin

Analytical Chemistry, 19 Dec 2016

Ogata AF, Edgar JM, Majumdar S, Briggs JS, Patterson SV, Tan MX, Kudlacek ST, Schneider CA, Weiss GA, Penner RM

Accurate De Novo Design of Hyperstable Constrained Peptides

Nature, 14 Sep 2016

Bhardwaj G, Mulligan VK, Bahl CD, Gilmore JM, Harvey PJ, Cheneval O, Buchko GW, Pulavarti SV, Kaas Q, Eletsky A, Huang PS, Johnsen WA, Greisen PJ, Rocklin GJ, Song Y, Linsky TW, Watkins A, Rettie SA, Xu X, Carter LP, Bonneau R, Olson JM, Coutsias E, Correnti CE, Szyperski T, Craik DJ, Baker D

2015

Shear-Stress-Mediated Refolding of Proteins from Aggregates and Inclusion Bodies

ChemBioChem, 9 Feb 2015

Yuan TZ, Ormonde CFG, Kudlacek ST, Kunche S, Smith JN, Brown WA, Pugliese KM, Olsen TJ, Iftikhar M, Raston CL, Weiss GA