GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
Lee, Tai-Sung, Cerutti, David S, Mermelstein, Dan, Lin, Charles, LeGrand, Scott, Giese, Timothy J, Roitberg, Adrian, Case, David A, Walker, Ross C, York, Darrin M
Published in Journal of chemical information and modeling (22.10.2018)
Published in Journal of chemical information and modeling (22.10.2018)
Get full text
Journal Article
A GPU-Accelerated Parameter Interpolation Thermodynamic Integration Free Energy Method
Giese, Timothy J, York, Darrin M
Published in Journal of chemical theory and computation (13.03.2018)
Published in Journal of chemical theory and computation (13.03.2018)
Get full text
Journal Article
Extension of the Variational Free Energy Profile and Multistate Bennett Acceptance Ratio Methods for High-Dimensional Potential of Mean Force Profile Analysis
Giese, Timothy J, Ekesan, Şölen, York, Darrin M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.05.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.05.2021)
Get full text
Journal Article
Electronic and Nuclear Quantum Effects on Proton Transfer Reactions of Guanine–Thymine Mispairs Using Combined Quantum Mechanical/Molecular Mechanical and Machine Learning Potentials
Tao, Yujun, Giese, Timothy J, York, Darrin M
Published in Molecules (Basel, Switzerland) (01.06.2024)
Published in Molecules (Basel, Switzerland) (01.06.2024)
Get full text
Journal Article
CIB2 interacts with TMC1 and TMC2 and is essential for mechanotransduction in auditory hair cells
Giese, Arnaud P J, Tang, Yi-Quan, Sinha, Ghanshyam P, Bowl, Michael R, Goldring, Adam C, Parker, Andrew, Freeman, Mary J, Brown, Steve D M, Riazuddin, Saima, Fettiplace, Robert, Schafer, William R, Frolenkov, Gregory I, Ahmed, Zubair M
Published in Nature communications (29.06.2017)
Published in Nature communications (29.06.2017)
Get full text
Journal Article
CIB2 regulates mTORC1 signaling and is essential for autophagy and visual function
Sethna, Saumil, Scott, Patrick A, Giese, Arnaud P J, Duncan, Todd, Jian, Xiaoying, Riazuddin, Sheikh, Randazzo, Paul A, Redmond, T Michael, Bernstein, Steven L, Riazuddin, Saima, Ahmed, Zubair M
Published in Nature communications (23.06.2021)
Published in Nature communications (23.06.2021)
Get full text
Journal Article
Genetic association analysis of 77,539 genomes reveals rare disease etiologies
Greene, Daniel, Pirri, Daniela, Frudd, Karen, Sackey, Ege, Al-Owain, Mohammed, Giese, Arnaud P J, Ramzan, Khushnooda, Riaz, Sehar, Yamanaka, Itaru, Boeckx, Nele, Thys, Chantal, Gelb, Bruce D, Brennan, Paul, Hartill, Verity, Harvengt, Julie, Kosho, Tomoki, Mansour, Sahar, Masuno, Mitsuo, Ohata, Takako, Stewart, Helen, Taibah, Khalid, Turner, Claire L S, Imtiaz, Faiqa, Riazuddin, Saima, Morisaki, Takayuki, Ostergaard, Pia, Loeys, Bart L, Morisaki, Hiroko, Ahmed, Zubair M, Birdsey, Graeme M, Freson, Kathleen, Mumford, Andrew, Turro, Ernest
Published in Nature medicine (01.03.2023)
Published in Nature medicine (01.03.2023)
Get full text
Journal Article
Web Resource
Recent Advances toward a General Purpose Linear-Scaling Quantum Force Field
Giese, Timothy J, Huang, Ming, Chen, Haoyuan, York, Darrin M
Published in Accounts of chemical research (16.09.2014)
Published in Accounts of chemical research (16.09.2014)
Get full text
Journal Article
Alterations of the CIB2 calcium- and integrin-binding protein cause Usher syndrome type 1J and nonsyndromic deafness DFNB48
RIAZUDDIN, Saima, BELYANTSEVA, Inna A, HEGDE, Rashmi S, ALI, Rana A, ANWAR, Saima, ANDRADE-ELIZONDO, Paula B, SIRMACI, Asli, PARISE, Leslie V, BASIT, Sulman, WALI, Abdul, AYUB, Muhammad, ANSAR, Muhammad, GIESE, Arnaud P. J, AHMAD, Wasim, KHAN, Shaheenn, AKRAM, Javed, TEKIN, Mustafa, RIAZUDDIN, Sheikh, COOK, Tiffany, BUSCHBECK, Elke K, FROLENKOV, Gregory I, LEAL, Suzannem, FRIEDMAN, Thomas B, LEE, Kwanghyuk, AHMED, Zubairm, INDZHYKULIAN, Artur A, NANDAMURI, Sri Pratima, YOUSAF, Rizwan, SINHA, Ghanshyam P, LEE, Sue, TERRELL, David
Published in Nature genetics (01.11.2012)
Published in Nature genetics (01.11.2012)
Get full text
Journal Article
Improvement of DNA and RNA Sugar Pucker Profiles from Semiempirical Quantum Methods
Huang, Ming, Giese, Timothy J, Lee, Tai-Sung, York, Darrin M
Published in Journal of chemical theory and computation (08.04.2014)
Published in Journal of chemical theory and computation (08.04.2014)
Get full text
Journal Article
Multipolar Ewald Methods, 1: Theory, Accuracy, and Performance
Giese, Timothy J, Panteva, Maria T, Chen, Haoyuan, York, Darrin M
Published in Journal of chemical theory and computation (10.02.2015)
Published in Journal of chemical theory and computation (10.02.2015)
Get full text
Journal Article
Extended Polarization in Third-Order SCC-DFTB from Chemical-Potential Equalization
Kaminski, Steve, Giese, Timothy J, Gaus, Michael, York, Darrin M, Elstner, Marcus
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.09.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.09.2012)
Get full text
Journal Article
Multipolar Ewald Methods, 2: Applications Using a Quantum Mechanical Force Field
Giese, Timothy J, Panteva, Maria T, Chen, Haoyuan, York, Darrin M
Published in Journal of chemical theory and computation (10.02.2015)
Published in Journal of chemical theory and computation (10.02.2015)
Get full text
Journal Article