Johannes Hachmann, Ph.D., M.Sc., Dipl.-Chem., - Publications

Chemical and Biological Engineering State University of New York, Buffalo, Buffalo, NY, United States 
Theoretical Chemistry, Quantum Chemistry, Computational Chemistry, Molecular Modeling, Computational Materials Science

17/75 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Haghighatlari M, Vishwakarma G, Altarawy D, Subramanian R, Kota BU, Sonpal A, Setlur S, Hachmann J. ChemML: A Machine Learning and Informatics Program Package for the Analysis, Mining, and Modeling of Chemical and Materials Data Wiley Interdisciplinary Reviews: Computational Molecular Science. 10. DOI: 10.1002/Wcms.1458  0.92
2019 Afzal MAF, Sonpal A, Haghighatlari M, Schultz AJ, Hachmann J. A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules. Chemical Science. 10: 8374-8383. PMID 31762970 DOI: 10.1039/C9Sc02677K  0.92
2019 Afzal MAF, Hachmann J. Benchmarking DFT approaches for the calculation of polarizability inputs for refractive index predictions in organic polymers. Physical Chemistry Chemical Physics : Pccp. PMID 30734777 DOI: 10.1039/C8Cp05492D  0.92
2018 Afzal MAF, Cheng C, Hachmann J. Combining first-principles and data modeling for the accurate prediction of the refractive index of organic polymers. The Journal of Chemical Physics. 148: 241712. PMID 29960320 DOI: 10.1063/1.5007873  0.92
2016 Lopez SA, Pyzer-Knapp EO, Simm GN, Lutzow T, Li K, Seress LR, Hachmann J, Aspuru-Guzik A. The Harvard organic photovoltaic dataset. Scientific Data. 3: 160086. PMID 27676312 DOI: 10.1038/Sdata.2016.86  1
2014 Hachmann J, Olivares-Amaya R, Jinich A, Appleton AL, Blood-Forsythe MA, Seress LR, Román-Salgado C, Trepte K, Atahan-Evrenk S, Er S, Shrestha S, Mondal R, Sokolov A, Bao Z, Aspuru-Guzik A. Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry-the Harvard Clean Energy Project Energy and Environmental Science. 7: 698-704. DOI: 10.1039/C3Ee42756K  1
2013 Amador-Bedolla C, Olivares-Amaya R, Hachmann J, Aspuru-Guzik A. Organic Photovoltaics Informatics For Materials Science and Engineering: Data-Driven Discovery For Accelerated Experimentation and Application. 423-442. DOI: 10.1016/B978-0-12-394399-6.00017-5  1
2011 Hachmann J, Frazier BA, Wolczanski PT, Chan GK. A theoretical study of the 3d-M(smif)2 complexes: structure, magnetism, and oxidation states. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 3236-44. PMID 21954028 DOI: 10.1002/Cphc.201100286  0.4
2011 Olivares-Amaya R, Amador-Bedolla C, Hachmann J, Atahan-Evrenk S, Sánchez-Carrera RS, Vogt L, Aspuru-Guzik A. Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics Energy and Environmental Science. 4: 4849-4861. DOI: 10.1039/C1Ee02056K  1
2011 Hachmann J, Olivares-Amaya R, Atahan-Evrenk S, Amador-Bedolla C, Sánchez-Carrera RS, Gold-Parker A, Vogt L, Brockway AM, Aspuru-Guzik A. The harvard clean energy project: Large-scale computational screening and design of organic photovoltaics on the world community grid Journal of Physical Chemistry Letters. 2: 2241-2251. DOI: 10.1021/Jz200866S  1
2010 Hachmann J, Olivares-Amaya R, Vogt L, Atahan S, Sanchez-Carrera RS, Gold-Parker A, Lin E, Aspuru-Guzik A. First-principles screening and design of organic photovoltaic materials on the World Community Grid Acs National Meeting Book of Abstracts 1
2009 Dorando JJ, Hachmann J, Chan GK. Analytic response theory for the density matrix renormalization group. The Journal of Chemical Physics. 130: 184111. PMID 19449912 DOI: 10.1063/1.3121422  1
2008 Ghosh D, Hachmann J, Yanai T, Chan GK. Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene. The Journal of Chemical Physics. 128: 144117. PMID 18412433 DOI: 10.1063/1.2883976  1
2007 Hachmann J, Dorando JJ, Avilés M, Chan GK. The radical character of the acenes: a density matrix renormalization group study. The Journal of Chemical Physics. 127: 134309. PMID 17919026 DOI: 10.1063/1.2768362  1
2007 Dorando JJ, Hachmann J, Chan GK. Targeted excited state algorithms. The Journal of Chemical Physics. 127: 084109. PMID 17764231 DOI: 10.1063/1.2768360  1
2006 Hachmann J, Cardoen W, Chan GK. Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group. The Journal of Chemical Physics. 125: 144101. PMID 17042573 DOI: 10.1063/1.2345196  1
2004 Hachmann J, Galek PTA, Yanai T, Chan GKL, Handy NC. The nodes of Hartree-Fock wavefunctions and their orbitals Chemical Physics Letters. 392: 55-61. DOI: 10.1016/J.Cplett.2004.04.070  1
Low-probability matches
2006 Hachmann J, Lebl M. Search for optimal coupling reagent in multiple peptide synthesizer. Biopolymers. 84: 340-7. PMID 16489586 DOI: 10.1002/bip.20482  0.08
2015 Hachmann J, Salvesen GS. The Paracaspase MALT1. Biochimie. PMID 26386283 DOI: 10.1016/J.Biochi.2015.09.018  0.16
2015 Hachmann J, Edgington-Mitchell LE, Poreba M, Sanman LE, Drag M, Bogyo M, Salvesen GS. Probes to monitor activity of the paracaspase MALT1. Chemistry & Biology. 22: 139-47. PMID 25556944 DOI: 10.1016/J.Chembiol.2014.11.011  0.16
2014 Zhang Y, Kim J, Mueller AC, Dey B, Yang Y, Lee DH, Hachmann J, Finderle S, Park DM, Christensen J, Schiff D, Purow B, Dutta A, Abounader R. Multiple receptor tyrosine kinases converge on microRNA-134 to control KRAS, STAT5B, and glioblastoma. Cell Death and Differentiation. 21: 720-34. PMID 24440911 DOI: 10.1038/cdd.2013.196  0.16
2012 Hachmann J, Snipas SJ, van Raam BJ, Cancino EM, Houlihan EJ, Poreba M, Kasperkiewicz P, Drag M, Salvesen GS. Mechanism and specificity of the human paracaspase MALT1. The Biochemical Journal. 443: 287-95. PMID 22309193 DOI: 10.1042/Bj20120035  0.16
2010 Staflin K, Krueger JS, Hachmann J, Forsyth JS, Lorger M, Steiniger SC, Mee J, Pop C, Salvesen GS, Janda KD, Felding-Habermann B. Targeting activated integrin alphavbeta3 with patient-derived antibodies impacts late-stage multiorgan metastasis. Clinical & Experimental Metastasis. 27: 217-31. PMID 20225083 DOI: 10.1007/S10585-010-9320-5  0.16
2008 Kozlov IA, Melnyk PC, Hachmann JP, Srinivasan A, Shults M, Zhao C, Musmacker J, Nelson N, Barker DL, Lebl M. A high-complexity, multiplexed solution-phase assay for profiling protease activity on microarrays. Combinatorial Chemistry & High Throughput Screening. 11: 24-35. PMID 18220541 DOI: 10.2174/138620708783398304  0.08
2007 Kozlov IA, Melnyk PC, Hachmann JP, Barker DL, Lebl M, Zhao C. Evaluation of different chemical strategies for conjugation of oligonucleotides to peptides. Nucleosides, Nucleotides & Nucleic Acids. 26: 1353-7. PMID 18066782 DOI: 10.1080/15257770701533909  0.08
2007 Kermani BG, Kozlov I, Melnyk P, Zhao C, Hachmann J, Barker D, Lebl M. Using Support Vector Machine Regression to Model the Retention of Peptides in Immobilized Metal-affinity Chromatography. Sensors and Actuators. B, Chemical. 125: 149-157. PMID 17940590 DOI: 10.1016/j.snb.2007.02.004  0.08
2007 Kozlov IA, Kermani BG, Melnyk PC, Barker DL, Zhao C, Hachmann JP, Lebl M. Retention of histidine-containing peptides on a nickel affinity column. Journal of Chromatographic Science. 45: 207-11. PMID 17504569  0.08
2007 Shults MD, Kozlov IA, Nelson N, Kermani BG, Melnyk PC, Shevchenko V, Srinivasan A, Musmacker J, Hachmann JP, Barker DL, Lebl M, Zhao C. A multiplexed protein kinase assay. Chembiochem : a European Journal of Chemical Biology. 8: 933-42. PMID 17471478 DOI: 10.1002/cbic.200600522  0.08
2007 Lebl M, Pistek C, Hachmann J, Mudra P, Pesek V, Pokorny V, Poncar P, Zenisek K. Economical parallel oligonucleotide and peptide synthesizer - Pet Oligator International Journal of Peptide Research and Therapeutics. 13: 367-375. DOI: 10.1007/s10989-007-9096-x  0.08
2006 Hachmann JP, Lebl M. Synthesis of poly d(G-C) oligonucleotides. Nucleosides, Nucleotides & Nucleic Acids. 25: 705-17. PMID 16898410 DOI: 10.1080/15257770600725903  0.08
2006 Kozlov IA, Melnyk PC, Zhao C, Hachmann JP, Shevchenko V, Srinivasan A, Barker DL, Lebl M. A method for rapid protease substrate evaluation and optimization. Combinatorial Chemistry & High Throughput Screening. 9: 481-7. PMID 16842230 DOI: 10.2174/138620706777698535  0.08
2006 Hachmann J, Lebl M. Alternative to piperidine in Fmoc solid-phase synthesis. Journal of Combinatorial Chemistry. 8: 149. PMID 16529506 DOI: 10.1021/cc050123l  0.08
2005 Lebl M, Hachmann J. High-throughput peptide synthesis. Methods in Molecular Biology (Clifton, N.J.). 298: 167-94. PMID 16044547 DOI: 10.1385/1-59259-877-3:167  0.08
1995 Jones DS, Barstad PA, Feild MJ, Hachmann JP, Hayag MS, Hill KW, Iverson GM, Livingston DA, Palanki MS, Tibbetts AR. Immunospecific reduction of antioligonucleotide antibody-forming cells with a tetrakis-oligonucleotide conjugate (LJP 394), a therapeutic candidate for the treatment of lupus nephritis. Journal of Medicinal Chemistry. 38: 2138-44. PMID 7783145  0.08
1994 Jones DS, Hachmann JP, Osgood SA, Hayag MS, Barstad PA, Iverson GM, Coutts SM. Conjugates of double-stranded oligonucleotides with poly(ethylene glycol) and keyhole limpet hemocyanin: a model for treating systemic lupus erythematosus. Bioconjugate Chemistry. 5: 390-9. PMID 7849067  0.08
1983 Lombardi S, Seidell H, Hachmann J. The evaluation of synthetic strategies for oligonucleotides of defined sequence. Computer programs in nucleic acid synthesis: I. Computer Programs in Biomedicine. 16: 71-6. PMID 6687858 DOI: 10.1016/0010-468X(83)90011-9  0.08
2015 Mallory GW, Grahn PJ, Hachmann JT, Lujan JL, Lee KH. Optical stimulation for restoration of motor function after spinal cord injury. Mayo Clinic Proceedings. 90: 300-7. PMID 25659246 DOI: 10.1016/j.mayocp.2014.12.004  0.04
2015 Grahn PJ, Lee KH, Kasasbeh A, Mallory GW, Hachmann JT, Dube JR, Kimble CJ, Lobel DA, Bieber A, Jeong JH, Bennet KE, Lujan JL. Wireless control of intraspinal microstimulation in a rodent model of paralysis. Journal of Neurosurgery. 123: 232-42. PMID 25479124 DOI: 10.3171/2014.10.Jns132370  0.04
2014 Grahn PJ, Mallory GW, Berry BM, Hachmann JT, Lobel DA, Lujan JL. Restoration of motor function following spinal cord injury via optimal control of intraspinal microstimulation: toward a next generation closed-loop neural prosthesis. Frontiers in Neuroscience. 8: 296. PMID 25278830 DOI: 10.3389/Fnins.2014.00296  0.04
2014 Grahn PJ, Mallory GW, Khurram OU, Berry BM, Hachmann JT, Bieber AJ, Bennet KE, Min HK, Chang SY, Lee KH, Lujan JL. A neurochemical closed-loop controller for deep brain stimulation: toward individualized smart neuromodulation therapies. Frontiers in Neuroscience. 8: 169. PMID 25009455 DOI: 10.3389/Fnins.2014.00169  0.04
2013 Hachmann JT, Jeong JH, Grahn PJ, Mallory GW, Evertz LQ, Bieber AJ, Lobel DA, Bennet KE, Lee KH, Lujan JL. Large animal model for development of functional restoration paradigms using epidural and intraspinal stimulation. Plos One. 8: e81443. PMID 24339929 DOI: 10.1371/Journal.Pone.0081443  0.04
1995 Jackson KH, Khan Malek C, Murray LP, Bonivert WD, Hruby JM, Hachmann JT, Chang TH. Fabrication of miniaturized electrostatic deflectors using LIGA Proceedings of Spie - the International Society For Optical Engineering. 2640: 204-213.  0.04
2020 Ferguson AL, Hachmann J, Miller TF, Pfaendtner J. // Virtual Special Issue on Machine Learning in Physical Chemistry. The Journal of Physical Chemistry. B. 124: 9767-9772. PMID 33147970 DOI: 10.1021/acs.jpcb.0c09206  0.01
2020 Ferguson AL, Hachmann J, Miller TF, Pfaendtner J. // Virtual Special Issue on Machine Learning in Physical Chemistry. The Journal of Physical Chemistry. A. 124: 9113-9118. PMID 33147969 DOI: 10.1021/acs.jpca.0c09205  0.01
2020 Koopman-Verhoeff ME, Mulder RH, Saletin JM, Reiss I, van der Horst GTJ, Felix JF, Carskadon MA, Tiemeier H, Cecil CAM. Genome-wide DNA methylation patterns associated with sleep and mental health in children: a population-based study. Journal of Child Psychology and Psychiatry, and Allied Disciplines. PMID 32361995 DOI: 10.1111/jcpp.13252  0.01
2020 Frederic F, Soraya B, Anne-Sophie A, Aurelie A, David A. Gender-related differences in the facial aging of Caucasian French subjects and their relations with perceived ages and tiredness. Journal of Cosmetic Dermatology. PMID 32315489 DOI: 10.1111/jocd.13446  0.01
2019 Villarino NF, Lopez CM, Sams RA, Bayly WM. Pharmacokinetics of furosemide in thoroughbred horses subjected to supramaximal treadmill exercise with and without controlled access to water. Bmc Veterinary Research. 15: 275. PMID 31375096 DOI: 10.1186/s12917-019-2017-3  0.01
2019 Afzal MAF, Haghighatlari M, Ganesh SP, Cheng C, Hachmann J. Accelerated Discovery of High-Refractive-Index Polyimides via First-Principles Molecular Modeling, Virtual High-Throughput Screening, and Data Mining The Journal of Physical Chemistry C. 123: 14610-14618. DOI: 10.1021/Acs.Jpcc.9B01147  0.01
2019 Haghighatlari M, Hachmann J. Advances of machine learning in molecular modeling and simulation Current Opinion in Chemical Engineering. 23: 51-57. DOI: 10.1016/J.Coche.2019.02.009  0.01
2018 Asatryan R, Pal Y, Hachmann J, Ruckenstein E. Roaming-Like Mechanism for Dehydration of Diol Radicals. The Journal of Physical Chemistry. A. PMID 30484647 DOI: 10.1021/Acs.Jpca.8B08690  0.01
2018 Hachmann J, Afzal MAF, Haghighatlari M, Pal Y. Building and deploying a cyberinfrastructure for the data-driven design of chemical systems and the exploration of chemical space Molecular Simulation. 44: 921-929. DOI: 10.1080/08927022.2018.1471692  0.01
2018 Ferguson A, Hachmann J. Machine learning and data science in materials design: a themed collection Molecular Systems Design & Engineering. 3: 429-430. DOI: 10.1039/c8me90007h  0.01
2017 Asatryan R, Ruckenstein E, Hachmann J. Revisiting the polytopal rearrangements in penta-coordinate d(7)-metallocomplexes: modified Berry pseudorotation, octahedral switch, and butterfly isomerization. Chemical Science. 8: 5512-5525. PMID 28970931 DOI: 10.1039/C7Sc00703E  0.01
2017 Wei H, Chang H, Zheng L, Lin S, Chen Y, Tian H, Zhao J, Chen Y, Cai H, Gu X, Murugan K. Identification and expression profiling of pheromone biosynthesis activating neuropeptide in Chlumetia transversa (Walker). Pesticide Biochemistry and Physiology. 135: 89-96. PMID 28043337 DOI: 10.1016/j.pestbp.2016.05.005  0.01
2015 Vaidya HA, Ertunç Ö, Lichtenegger T, Hachmann J, Delgado A, Skupin A. High-speed visualization of acoustically excited cavitation bubbles in a cluster near a rigid boundary Journal of Visualization. DOI: 10.1007/s12650-015-0280-3  0.01
2013 Cheng H, Hong W, Wang X, Hu X. Diffusion tensor imaging findings associated with cognitive performance in hydrocephalus patients. Saudi Medical Journal. 34: 1299-301. PMID 24343473  0.01
2013 Meena S, Singla A, Chowdhury B. Making advanced trauma life support more effective. Saudi Medical Journal. 34: 1121-2. PMID 24343460  0.01
2012 Bakhsh ZT, Mansour AY, Mensah EK, Croke KG, Drummond JL, Koerber A. Factors affecting the internal brain drain of Saudi healthcare professionals. Saudi Medical Journal. 33: 1285-9. PMID 23232675  0.01
2012 Albarrak AM, Stephens GM, Hewson R, Memish ZA. Recovery from severe novel coronavirus infection. Saudi Medical Journal. 33: 1265-9. PMID 23232672  0.01
2009 Deris ZZ, Hasan H, Sulaiman SA, Wahab MS, Naing NN, Othman NH. Preference of treatment facilities among Malaysian Hajj pilgrims for acute respiratory symptoms. Saudi Medical Journal. 30: 1103-4. PMID 19668898  0.01
2009 Abdul-Wahab A, Janahi IA, Abdel-Rahman MO. Sweat chloride concentration in cystic fibrosis patients with cystic fibrosis trans-membrane conductance regulator I1234V mutation. Saudi Medical Journal. 30: 1101-2. PMID 19668897  0.01
2009 Alotaibi HM. An unusual association of recurrent pyogenic granuloma on nevus flammeus in a patient with Von Recklinghausen's disease. Saudi Medical Journal. 30: 844-6. PMID 19526173  0.01
2009 Hanif G, Ali SI, Shahid A, Rehman F, Mirza U. Role of biopsy in pediatric lymphadenopathy. Saudi Medical Journal. 30: 798-802. PMID 19526163  0.01
2009 Al B, Yildirim C, Zengin S, Cavdar M, Togun I. The effect of chronic carbon-monoxide exposure on the peak expiratory flow values of grill-kebab chefs. Saudi Medical Journal. 30: 788-92. PMID 19526161  0.01
2009 Gökçe BM, Karabiyik L, Karadenizli Y. Hypotensive anesthesia with esmolol. Assessment of hemodynamics, consumption of anesthetic drugs, and recovery. Saudi Medical Journal. 30: 771-7. PMID 19526158  0.01
2005 Hachmann JP, Amshey JW. Models of protein modification in Tris-glycine and neutral pH Bis-Tris gels during electrophoresis: effect of gel pH. Analytical Biochemistry. 342: 237-45. PMID 15935323 DOI: 10.1016/j.ab.2005.04.015  0.01
2005 Al-Waili NS, Butler G, Abdullah M, Qazi SA. Hyperbaric medicine for necrotizing fasciitis. Saudi Medical Journal. 26: 163-4; author reply . PMID 15756386  0.01
2005 Salah MT, Mohammed MM, Himeidan YE, Malik EM, Elbashir MI, Adam I. A randomized comparison of sulphadoxine-pyrimethamine and combination of sulphadoxine pyrimethamine with chloroquine in the treatment of uncomplicated falciparum malaria in Eastern Sudan. Saudi Medical Journal. 26: 147-8. PMID 15756376  0.01
1971 Hachmann J, Miller DL, Weissbach H. Purification of factor Ts: studies on the formation and stability of nucleotide complexes containing transfer factor Tu. Archives of Biochemistry and Biophysics. 147: 457-66. PMID 4944516 DOI: 10.1016/0003-9861(71)90401-2  0.01
1971 Miller DL, Hachmann J, Weissbach H. The reactions of the sulfhydryl groups on the elongation factors Tu and Ts. Archives of Biochemistry and Biophysics. 144: 115-21. PMID 4940596 DOI: 10.1016/0003-9861(71)90460-7  0.01
1970 Weissbach H, Redfield B, Hachmann J. Studies on the role of factor Ts in aminoacyl-tRNA binding to ribosomes. Archives of Biochemistry and Biophysics. 141: 384-6. PMID 4921067 DOI: 10.1016/0003-9861(70)90150-5  0.01
1970 Weissbach H, Miller DL, Hachmann J. Studies on the role of factor Ts in polypeptide synthesis. Archives of Biochemistry and Biophysics. 137: 262-9. PMID 4907806 DOI: 10.1016/0003-9861(70)90433-9  0.01
1969 Hachmann J, Khorana HG. Studies on polynucleotides. 93. A further study of the synthesis of deoxyribopolynucleotides using preformed oligonucleotide blocks. Journal of the American Chemical Society. 91: 2749-57. PMID 5784949 DOI: 10.1021/JA01038A057  0.01
1966 Shapiro R, Hachmann J. The reaction of guanine derivatives with 1,2-dicarbonyl compounds. Biochemistry. 5: 2799-807. PMID 5961865 DOI: 10.1021/Bi00873A004  0.01
1966 Shapiro R, Hachmann J, Wahl R. A new self-condensation product of biacetyl. The Journal of Organic Chemistry. 31: 2710-2. PMID 5917460 DOI: 10.1021/Jo01346A528  0.01
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