Carlos Simmerling
Высшая школа экономики
- Protein Structure and Dynamics
- Enzyme Structure and Function
- DNA and Nucleic Acid Chemistry
- RNA and protein synthesis mechanisms
- SARS-CoV-2 and COVID-19 Research
Чем занимается
Ключевые темы по публикациям: Protein Structure and Dynamics; Enzyme Structure and Function; DNA and Nucleic Acid Chemistry; RNA and protein synthesis mechanisms; SARS-CoV-2 and COVID-19 Research.
Последние работы
Все 171 в OpenAlexff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB2015 · аннотациясвернуть
Molecular mechanics is powerful for its speed in atomistic simulations, but an accurate force field is required. The Amber ff99SB force field improved protein secondary structure balance and dynamics from earlier force…
The Amber biomolecular simulation programs2005 · аннотациясвернуть
We describe the development, current features, and some directions for future development of the Amber package of computer programs. This package evolved from a program that was constructed in the late 1970s to do…
Comparison of multiple Amber force fields and development of improved protein backbone parameters2006 · аннотациясвернуть
The ff94 force field that is commonly associated with the Amber simulation package is one of the most widely used parameter sets for biomolecular simulation. After a decade of extensive use and testing, limitations in…
ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution2019 · аннотациясвернуть
Molecular dynamics (MD) simulations have become increasingly popular in studying the motions and functions of biomolecules. The accuracy of the simulation, however, is highly determined by the molecular mechanics (MM)…
- Improved Generalized Born Solvent Model Parameters for Protein Simulations2013
- Experimental and computational analysis of the basis for accelerated amyloid formation by a disease linked mutant of human islet amyloid polypeptide2025
- Modeling Protein–Protein and Protein–Ligand Interactions by the ClusPro Team in CASP162025
- Modeling Protein–Protein and Protein–Ligand Interactions by the ClusPro Team in CASP162025
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Шаблон письма
Здравствуйте, Carlos Simmerling! Я студент(ка) [курс, факультет, вуз]. Мне интересна тема [опишите интересы своими словами]. Прочитал(а) вашу работу «ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB» (2015) — она близка к тому, чем я хочу заниматься. Хочу обсудить возможность выполнить научную работу под вашим руководством. Буду благодарен(на) за ответ — готов(а) рассказать о себе подробнее и прислать резюме. С уважением, [Имя Фамилия]
На этапе теста письмо отправляешь сам из своей почты. Отправка из сервиса и статусы заявок — скоро.