https://www.simmerlinglab.org/coronavirus daily 0.75 2022-05-18 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1615636604875-7O20XSLZ5HY3GPFJCY3L/locate-spike.gif COVID-19 research https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586176921330-KMEJO64OQ115QG50HV8N/Spike+complex COVID-19 research We are modeling the “spike” (a trimer made of the red, yellow, and blue proteins on the upper left) on the coronavirus. The spike binds to the human ACE2 receptor protein (pink proteins, bottom) on the surface of cells that line the human respiratory system. https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586281074076-61XMJ5AZYAV2MI6UY2K6/SBUnews.jpg COVID-19 research - Our work featured in the SBU News https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586175205370-CF4ICT6IKQKARHGQIGM7/covid.gif.gif COVID-19 research - Modeling the dynamic motions of the coronavirus spike Our simulations aim to understand the range of motions undergone by the spike as it searches for the host cell, and then undergoes a series of changes to enact cell fusion. This movie shows one aspect of these changes, as the receptor binding domain of the spike undergoes opening and closing motion. If researchers understand more about these motions, they may be able to design molecules that bind to the spike and interfere with the motions, and thus block entry of the virus into the host cell. https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586266623070-OLNCZVWA5W9ACHY12P11/covid-fusions-arrows.jpg COVID-19 research - Coronavirus spike infecting a host cell https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/fbef9585-92ca-4d66-8d1a-c22249fdab58/new.TOC.timelapse.surf.pocket.png COVID-19 research https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/c28433c2-444b-4fdd-a8ae-5cd2443484ba/solvated-rotate.gif COVID-19 research Our all-atom simulations of the SARS-CoV-2 spike include the full spike ectodomain, with glycans, 400,000 water molecules and 200 mM NaCl, with 1.4 million atoms total. https://www.simmerlinglab.org/members daily 0.75 2025-02-11 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1652901556914-DMZJP4A3BK7QBH6FZQHF/lab%2Bphoto.jpg Members https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1585487505308-9JN5U2ZLKEIUO7J2CBR3/lauren.png Members https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1eed3288-d521-4e36-b5df-dd1b2b9d9fba/Alseika.jpg Members https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1585487709058-GKZ9XK3PCZSWUTCB5DG2/dasha.png Members https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/24453254-e6b3-4e8a-ade4-4dee16fb1835/juan.resize.png Members - 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Simmerling Lab at the Amber Developer Meeting 2020 https://www.simmerlinglab.org/news/new-videos-explaining-recent-research-results-from-the-simmerling-lab monthly 0.5 2020-04-05 https://www.simmerlinglab.org/news/we-have-a-new-doctor-in-the-house-dr-chuan-tian monthly 0.5 2020-05-08 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586104282160-XGN0HPQP7MRVTC3HURAN/33.png News - We Have a New Doctor in the House (Dr. Chuan Tian) https://www.simmerlinglab.org/news/koushik-at-molecular-biophysics-in-the-northeast-meeting monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586102857985-HZ1RFG98A1LXI6J3KLQJ/32.png News - Koushik at Molecular Biophysics in the Northeast Meeting https://www.simmerlinglab.org/news/chemistry-research-day monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586102655124-C70K9CUFOJB0PIFQLFOS/31.png News - Chemistry Research Day https://www.simmerlinglab.org/news/we-have-a-new-doctor-in-the-house-dr-junjie-zou monthly 0.5 2020-05-08 https://www.simmerlinglab.org/news/new-publication-on-winning-the-2018-d3r-grand-challenge-4 monthly 0.5 2020-04-05 https://www.simmerlinglab.org/news/new-publication-on-our-new-protein-force-field-ff19sb monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586101042687-A2B7X49ULUMAO1X7HD42/29.gif News - New Publication on Our New Protein Force Field ff19SB https://www.simmerlinglab.org/news/congratulations-to-seungyoun-on-defending-her-masters-thesis monthly 0.5 2020-05-08 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586100760911-WWPH3O8SG95T3C06DJ86/28.png News - Congratulations to Seungyoun on Defending her Masters Thesis https://www.simmerlinglab.org/news/simmerling-lab-at-macc-nygaim monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586100106076-MLFSI4E4SNCPFRHOM326/27d.jpg News - Simmerling Lab at MACC-NYGAIM https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586100093485-32VMUHHUUMBHWD4UN5C2/27c.jpg News - Simmerling Lab at MACC-NYGAIM https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586100066909-IDJLBXZ6LC8B5OWIQNHU/27a.jpg News - Simmerling Lab at MACC-NYGAIM https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586100081062-C6UB3NLDIQJ7LQK6C0MG/27b.jpg News - Simmerling Lab at MACC-NYGAIM https://www.simmerlinglab.org/news/iacs-research-day monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586099934167-IUVXFEQCLR9J6X1GEVOZ/26a.jpg News - IACS Research Day https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586099946809-IWDM10FU2HYFHPL25FYW/26b.jpg News - IACS Research Day https://www.simmerlinglab.org/news/chuan-tians-first-acs-oral-presentation-on-ff19sb monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586099848705-ZN61B2SY2R3ZBR7M34EB/25.jpg News - Chuan Tian's first ACS Oral Presentation on ff19SB https://www.simmerlinglab.org/news/simmerling-lab-at-the-amber-meeting monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586099778358-E6SAFHVYS0PCJCOHE5NY/24.jpg News - Simmerling Lab at the Amber Meeting https://www.simmerlinglab.org/news/new-student-yuzhang-wang monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586099681510-UDLCUK6FS635Z7RD7FK5/23.jpeg News - New Student Yuzhang Wang https://www.simmerlinglab.org/news/iacs-travel-scholarship-awarded-to-chuan-tian monthly 0.5 2020-04-05 https://www.simmerlinglab.org/news/new-publication-from-dr-he-agnes-huang monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586099549312-TJ9O3V7IJQK70RQM9JYM/22.png News - New Publication from Dr. He (Agnes) Huang https://www.simmerlinglab.org/news/simmerling-lab-at-the-bnl-gpu-hackathon monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586099304081-S2XLAPDPPD1SM9K7WX0A/21b.jpg News - Simmerling Lab at the BNL GPU Hackathon https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586099365129-AJMGE0H1F2510Y4WE82K/21d.jpg News - Simmerling Lab at the BNL GPU Hackathon https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586099392161-1JZQ2OGU48OS1L59UG2I/21e.jpg News - Simmerling Lab at the BNL GPU Hackathon https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586099339226-TKUE49H886R58JTV45C2/21c.jpg News - Simmerling Lab at the BNL GPU Hackathon https://www.simmerlinglab.org/news/chuan-tian-at-the-256th-acs-national-meeting monthly 0.5 2020-04-04 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586040036520-TUDTBGK8R2QKFAU6AR7L/20.jpg News - Chuan Tian at the 256th ACS National Meeting https://www.simmerlinglab.org/news/congratulations-dr-angela-migues monthly 0.5 2020-04-04 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586039944273-IY15470W0V7NE02IRB0T/19a.jpg News - Congratulations Dr. Angela Migues! https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586039957275-WCGP8IBKYCJLYE3JNL7V/19b.jpg News - Congratulations Dr. Angela Migues! https://www.simmerlinglab.org/news/2018-sigma-xi-travel-award monthly 0.5 2020-04-04 https://www.simmerlinglab.org/news/we-have-a-new-doctor-in-the-house-huang-he monthly 0.5 2020-04-04 https://www.simmerlinglab.org/news/lauren-raguette-awarded-the-best-teaching-assistant-by-chemistry-department monthly 0.5 2020-04-04 https://www.simmerlinglab.org/news/ruth-l-kirschstein-predoctoral-individual-national-research-service-award-to-kellon-belfon monthly 0.5 2020-04-04 https://www.simmerlinglab.org/news/new-student-seungyoun-shin monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586039420517-VP1D7RY14L68AJZCAJRR/14.jpeg News - 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2016 7th Annual CFN Image Challenge Winner (Chuan Tian) https://www.simmerlinglab.org/news/new-student-lucy-fallon monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586106523459-1J0W1HQUHO1I4Q4VKQCB/8.jpg News - New Student Lucy Fallon https://www.simmerlinglab.org/news/new-publication-from-haoquan-li monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586038588731-YF1VCSHPEMBF3GRVAB2Y/7.png News - New Publication from Haoquan Li https://www.simmerlinglab.org/news/a-new-doctor-in-the-house-kevin-hauser monthly 0.5 2020-04-05 https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586037149921-YPEO7GUROQO70O6AEI2F/6a.png News - A new doctor in the house (Kevin Hauser) https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586037150040-48445DQ28FZR4IOZ1KD9/6c.jpg News - A new doctor in the house (Kevin Hauser) https://images.squarespace-cdn.com/content/v1/5e7fd5f8b4495743110907de/1586037150249-SVOHD58NMW8AATUYX4MK/6d.jpg News - 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