Google Scholar Profile

Betz, R.M.; Dror, R.O.; “How effectively can adaptive sampling methods capture spontaneous ligand binding?”, Journal of Chemical Theory and Computation, January 15, 2019, DOI: 10.1021/acs.jctc.8b00913

Venkatakrishnan, A.J.; Ma, A.; Fonseca, R.; Latorraca, N.R.; Kelly, B.; Betz, R.M.; Asawa, C.; Kobilka, B.K.; Dror, R.O.; “Stable networks of water-mediated interactions are conserved in activation of diverse GPCRs”, PNAS, February 6, 2019, DOI: 10.1073/pnas.1809251116

Schmidt, H.R.; Betz, R.M.; Dror, R.O.; Kruse, A.C.; “Structural basis for sigma-1 receptor ligand recognition”, Nature Structural and Molecular Biology, October 5, 2018, DOI: 10.1038/s41594-018-0137 NSMB News and Views

Bjij, I.; Khan, S.; Betz, R.M.; Cherqaoui, D.; Soliman, M.E.S.; “Exploring the structural mechanism of covalently bound E3 ubiquitin ligase: Catalytic or allosteric inhibition?”, The Protein Journal, September 19, 2018, DOI: 10.1007/s10930-018-9795-5 

Khan, S.; Bjij, I.; Betz, R.M.; Soliman, M.E.S.; “Reversible versus irreversible inhibition modes of ERK2: a comparative analysis for ERK2 protein kinase in cancer therapy”, Future Medicinal Chemistry, April 9, 2018, DOI: 10.4155/fmc-2017-0275 

McCorvy, J.D.; Butler, K.V.; Kelly, B.; Rechsteiner, K.; Karipak, J.; Betz, R.M.; Kormos, B.L.; Shoichet, B.K.; Dror, R.O.; Jin, J.; Roth, B.L.; “Structure-inspired design of β-arrestin-biased ligands for aminergic GPCRs”, Nature Chemical Biology, December 11, 2017, DOI: 10.1038/nchembio.2527 

Wang, S.; Wacker, D.; Levit, A.; Che, T.; Betz, R.M.; McCorvy, J.D.; Venkatakrishnan, A.J.; Xi-Ping, H.; Dror, R.O.; Shoichet, B.K.; Roth, B.L.; “D4 dopamine receptor high-resolution structures enable the discovery of selective agonists”, Science, October 20, 2017, DOI: 10.1126/science.aan5468 

Komolov, K.E.; Du, Y.; Nguyen, N.M.; Betz, R.M.; Rodrigues, J.P.G.L.M.; Leib, R.D.; Patra, D.; Skiniotis, G.; Adams, C.M.; Dror, R.O.; Chung, K.Y.; Kobilka, B.K.; Benovic, J.L.; “Structural and Functional Analysis of a β2-Adrenergic Receptor Complex with GRK5”, Cell, April 20, 2017, DOI: 10.1016/j.cell.2017.03.047 

Wacker, D.; Wang, S.; McCorvy, J.D.; Betz, R.M.; Venkatakrishnan, A.J.; Levit, A.; Lansu, K.; Schools, Z.L.; Che, T.; Nichols, D.E.; Shoichet, B.K.; Dror, R.O.; Roth, B.L.; “Crystal structure of an LSD-bound human serotonin receptor”, Cell, January 26 2017, DOI: 10.1016/j.cell.2016.12.033 

Betz, R.M.; Walker, Ross C; “Paramfit: Automated optimization of force field parameters for molecular dynamics simulations,” Journal of Computational Chemistry, January 15, 2015, 32(2), 79-87 DOI: 10.1002/jcc.23775  Full text pdf  Tutorial

D.A. Case, V. Babin, J.T. Berryman, R.M. Betz, Q. Cai, D.S. Cerutti, T.E. Cheatham, III, T.A. Darden, R.E. Duke, H. Gohlke, A.W. Goetz, S. Gusarov, N. Homeyer, P. Janowski, J. Kaus, I. Kolossváry, A. Kovalenko, T.S. Lee, S. LeGrand, T. Luchko, R. Luo, B. Madej, K.M. Merz, F. Paesani, D.R. Roe, A. Roitberg, C. Sagui, R. Salomon-Ferrer, G. Seabra, C.L. Simmerling, W. Smith, J. Swails, R.C. Walker, J. Wang, R.M. Wolf, X. Wu and P.A. Kollman (2014), “AMBER 14”, University of California, San Francisco Website 

Betz, R. M.; Walker, Ross C; “From Punch Cards to Continuous Integration: Streamlining Development of a Multi-million Line Computational Chemistry Code,” Computing in Science and Engineering, February 2, 2014, 16(3), 10-17, DOI: 10.1109/MCSE.2014.9

Betz, R.M.; DeBardeleben, N.A.; Walker, R.C.; “An investigation of the effects of hard and soft errors on graphics processing unit-accelerated molecular dynamics simulations,” Concurrency and Computation: Practice and Experience, March 3, 2014, 26(13), 2134–2140 DOI: 10.1002/cpe.3232  Full text pdf  Featured in HPCWire

Dickson, C.J.; Madej, B.D.; Skjevik, A.A.; Betz, R.M.; Teigen, K.; Gould, I.R.; Walker, R.C.; “Lipid14: The Amber Lipid Force Field”, J. Chem. Theory Comput., January 30, 2014, 10(2), 865-879, DOI: 10.1021/ct4010307  Full text pdf

Walker, R.C.; Betz, R.M.; “An investigation of the effects of error correcting code on GPU-accelerated molecular dynamics simulations,” Proceedings of the Conference on Extreme Science and Engineering Discovery Environment: Gateway to Discovery (XSEDE 13), July 22, 2013, DOI: 10.1145/2484762.2484774 Full text pdf  Slides 

Lenhardt, C.; Blanton, B.; Idaszdak, R.; Betz, R.; Promoting Scientific Software Best Practices, Summer Meeting 2013. ESIP (Earth Science Information Partners) Commons, July 2013 Website

Betz, R.M; Walker, R.C.; “Implementing Continuous Integration Software in an Established Computational Chemistry Software Package.”, International Workshop on Software Engineering for Computational Science and Engineering, May 18, 2013 Full text pdf  Website (Best Presentation & Best Paper Winner)

Dickson, C.J; Rosso,L.; Betz,R.M.; Walker,R.C.; Gould, I.R. “GAFFlipid: a General Amber Force Field for the accurate molecular dynamics simulation of phospholipid,” Soft Matter, 2012, 8, 9617-9627, DOI: 10.1039/C2SM26007G

Betz, R.M.; Walker, R.C.; “Paramfit: A program for automated forcefield parameter generation using a genetic algorithm,” American Chemical Society National Meeting, 2012, Poster pdf