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Teng Lin
Teng Lin
Senior Vice President of Business Development, XtalPi
Verified email at xtalpi.com
Title
Cited by
Cited by
Year
Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field
L Wang, Y Wu, Y Deng, B Kim, L Pierce, G Krilov, D Lupyan, S Robinson, ...
Journal of the American Chemical Society 137 (7), 2695-2703, 2015
11222015
Modeling local structural rearrangements using FEP/REST: application to relative binding affinity predictions of CDK2 inhibitors
L Wang, Y Deng, JL Knight, Y Wu, B Kim, W Sherman, JC Shelley, T Lin, ...
Journal of chemical theory and computation 9 (2), 1282-1293, 2013
2072013
Lead optimization mapper: automating free energy calculations for lead optimization
S Liu, Y Wu, T Lin, R Abel, JP Redmann, CM Summa, VR Jaber, NM Lim, ...
Journal of computer-aided molecular design 27, 755-770, 2013
1312013
Accurate binding free energy predictions in fragment optimization
TB Steinbrecher, M Dahlgren, D Cappel, T Lin, L Wang, G Krilov, R Abel, ...
Journal of chemical information and modeling 55 (11), 2411-2420, 2015
1302015
How to deal with multiple binding poses in alchemical relative protein–ligand binding free energy calculations
JW Kaus, E Harder, T Lin, R Abel, JA McCammon, L Wang
Journal of chemical theory and computation 11 (6), 2670-2679, 2015
632015
Langevin dynamics for rigid bodies of arbitrary shape
X Sun, T Lin, JD Gezelter
The Journal of chemical physics 128 (23), 2008
572008
OOPSE: An object‐oriented parallel simulation engine for molecular dynamics
MA Meineke, CF Vardeman, T Lin, CJ Fennell, JD Gezelter
Journal of computational chemistry 26 (3), 252-271, 2005
542005
Prediction and application in QSPR of aqueous solubility of sulfur-containing aromatic esters using GA-based MLR with quantum descriptors
C Yin, X Liu, W Guo, T Lin, X Wang, L Wang
Water Research 36 (12), 2975-2982, 2002
352002
Application of wavelet neural network to the prediction of gas chromatographic retention indices of alkanes
C Yin, W Guo, T Lin, S Liu, R Fu, Z Pan, L Wang
Journal of the Chinese Chemical Society 48 (4), 739-749, 2001
162001
Chemometrics to chemical modeling: Structural coding in hydrocarbons and retention indices of gas chromatography
C Yin, W Liu, Z Li, Z Pan, T Lin, M Zhang
Journal of separation science 24 (3), 213-220, 2001
152001
Cycle closure estimation of relative binding affinities and errors
L Wang, T Lin, R Abel
122016
11th German Conference on Chemoinformatics (GCC 2015)
U Fechner, C de Graaf, AE Torda, S Güssregen, A Evers, H Matter, ...
Journal of cheminformatics 8 (1), 1-27, 2016
22016
Cycle Closure Estimation of Relative Binding Affinities and Errors
L Wang, T Lin, R Abel
US Patent App. 13/840,039, 2014
12014
Cycle Closure Estimation of Relative Binding Affinities and Errors
L Wang, T Lin, RL Abel
US Patent App. 16/045,366, 2019
2019
Free energy perturbations for the accurate prediction of protein-protein binding affinity and protein stability
F McRobb, J Sanders, T Steinbrecher, C Zhu, L Wang, T Lin, B Kim, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
Free energy calculations in drug discovery
R Abel, T Lin, B Kim, L Wang, S Mondal, Y Deng, J Knight
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015
2015
Accelerating drug discovery: the role of free energy calculations
R Abel, R Friesner, R Farid, T Lin, L Frye, J Knight, G Krilov, L Wang
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015
2015
Large-scale application of free energy perturbation (FEP) to affinity optimization in drug discovery
D Shivakumar, W Sherman, R Abel, T Lin, R Friesner
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014
2014
Modeling protein-ligand binding and protein structure
R Abel, N Salam, B Kim, G Krilov, J Li, K Zhu, Y Cao, Y Deng, Y Wu, T Lin, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011
2011
Lambda hopping: An efficient replica exchange-based sampling method for free energy perturbation calculations
Y Wu, T Lin, JC Shelley, W Sherman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 240, 2010
2010
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